data_2jyg_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 2jyg _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 ' 149' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 171' ' ' THR . 3.0 mm -78.12 -18.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.28 -34.83 79.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -19.67 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.602 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -83.3 98.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.84 170.97 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.583 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 3.3 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.0 t80 -70.54 -26.99 63.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -46.6 79.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.42 -34.89 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 12.0 t80 -66.46 -43.17 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.76 -43.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.55 -43.88 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CD ' HG13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -63.54 -44.19 94.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' ' 153' ' ' ILE . 50.3 t80 -58.29 -47.07 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -74.62 -20.86 59.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -71.6 -45.26 62.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.471 ' CG2' HD12 ' A' ' 150' ' ' ILE . 32.7 m -74.55 -38.17 62.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.5 -45.0 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.7 6.09 25.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -49.02 -37.71 21.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 189' ' ' LEU . 0.5 OUTLIER -67.71 -34.86 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.422 ' N ' HG21 ' A' ' 188' ' ' THR . 4.2 mt -69.95 -46.41 65.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 164' ' ' TYR . 1.1 tp -58.0 -45.05 87.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.458 ' CG1' HD11 ' A' ' 202' ' ' LEU . 89.7 t -65.91 -46.4 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -65.03 -37.51 87.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 16.6 t-20 -88.01 6.29 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -97.51 157.97 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -47.44 174.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.384 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.97 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.23 -54.89 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.7 t -54.46 -37.83 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.655 1.222 . . . . 0.0 108.32 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.71 -44.24 90.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 79.4 m -65.0 -41.65 95.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.352 1.032 . . . . 0.0 110.437 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -38.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.458 HD11 ' CG1' ' A' ' 191' ' ' VAL . 5.9 mt -72.04 -33.18 67.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -66.98 -35.66 80.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -32.75 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.533 ' CD2' ' CB ' ' A' ' 209' ' ' ALA . 0.2 OUTLIER -53.94 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.3 160.3 22.22 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.383 1.052 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 56.69 4.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.75 54.66 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.533 ' CB ' ' CD2' ' A' ' 205' ' ' LEU . . . -79.59 160.24 26.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -79.96 155.04 27.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.403 ' N ' HG23 ' A' ' 210' ' ' THR . 0.0 OUTLIER -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 215' ' ' MET . 19.7 mt-10 -61.5 -35.07 76.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.424 1.078 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.474 ' CG ' HD23 ' A' ' 205' ' ' LEU . 5.2 tp10 -73.63 -38.21 65.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.406 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 68.0 mtm -65.45 -48.16 73.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.609 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -31.12 68.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 215' ' ' MET . 1.2 m -67.43 -39.12 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 201' ' ' ILE . . . -72.23 -41.09 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 7.6 t -61.71 -45.35 94.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -27.13 68.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.21 -25.41 68.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 109.357 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 5.0 mm -88.58 -20.69 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -30.72 71.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.97 -19.78 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.604 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -81.59 106.84 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.527 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 14.0 ttt-85 -148.3 151.58 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.558 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.2 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 68.8 t80 -70.35 -30.44 67.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.67 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.96 -33.34 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 7.0 t80 -68.06 -41.42 82.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.3 t -67.49 -43.73 87.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.8 -44.61 86.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.07 -43.98 93.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.472 ' N ' HG21 ' A' ' 153' ' ' ILE . 56.4 t80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.337 1.023 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -74.5 -21.84 59.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -73.14 -44.59 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 150' ' ' ILE . 87.8 m -73.98 -35.27 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.07 -44.77 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -26.31 60.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.285 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.9 60.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -30.11 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.8 mt -70.73 -46.89 62.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -59.06 -43.36 91.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.433 HG21 ' CD2' ' A' ' 202' ' ' LEU . 88.0 t -67.82 -46.85 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.85 -37.95 89.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 27.8 t-20 -87.75 6.59 34.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -98.7 156.12 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -50.75 174.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.95 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.576 1.829 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 201' ' ' ILE . 2.2 m-20 -50.9 -54.53 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.1 t -54.3 -37.89 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -46.18 89.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.0 m -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -38.31 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.433 ' CD2' HG21 ' A' ' 191' ' ' VAL . 4.7 mp -71.88 -32.13 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -68.37 -36.88 79.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.43 -28.21 41.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -63.97 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.88 156.18 15.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 142.78 53.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.442 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -79.52 161.22 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.77 149.98 48.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 110.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -45.23 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.68 -34.49 78.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.08 -42.88 79.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.5 mtp -63.25 -43.56 97.65 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.367 1.042 . . . . 0.0 111.021 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.619 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ttm -68.79 -33.39 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.09 85.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 201' ' ' ILE . . . -71.98 -37.66 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.063 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.407 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 5.8 t -66.84 -43.63 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 108.357 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -61.81 -26.9 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.59 -23.06 71.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.365 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 5.3 t . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 171' ' ' THR . 7.6 mm -79.59 -18.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.9 -30.12 70.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.17 -12.67 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.624 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -89.12 96.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 169.28 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.563 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 46.8 t80 -68.33 -33.82 74.99 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -59.73 -45.8 91.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.58 -37.03 84.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 11.7 t80 -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.0 -43.14 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -57.65 -42.18 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.43 ' CB ' HG23 ' A' ' 153' ' ' ILE . 46.7 t80 -58.44 -47.55 83.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.484 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.6 m-85 -76.12 -20.97 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -72.71 -44.62 61.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.477 HG23 ' CD1' ' A' ' 150' ' ' ILE . 68.1 m -74.43 -38.19 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.536 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.54 -50.27 73.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -68.98 -7.97 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 188' ' ' THR . 4.2 pm0 -47.49 -30.3 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.414 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.4 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.61 -46.51 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.4 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 0.6 OUTLIER -57.73 -44.66 86.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.463 ' CG1' HD12 ' A' ' 202' ' ' LEU . 44.5 t -65.69 -45.94 90.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 15.7 t-20 -87.73 4.72 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -93.46 157.63 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -48.22 175.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.15 -54.57 24.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.5 t -55.44 -37.05 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.355 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.4 -46.46 86.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 65.7 m -63.11 -43.06 99.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -63.82 -37.8 80.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.463 HD12 ' CG1' ' A' ' 191' ' ' VAL . 7.6 mt -72.1 -32.75 67.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -66.1 -36.59 83.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.63 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 217' ' ' ALA . 1.5 mp -46.76 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.06 157.82 18.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.97 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.78 47.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.413 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.17 157.81 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 2.3 t -83.45 163.01 20.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 211' ' ' LEU . 1.9 tm? -53.63 -50.31 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -34.62 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -70.71 -42.68 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 26.1 mtp -64.37 -43.43 94.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 10.1 ttt -69.17 -35.37 76.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -38.54 86.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.457 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.487 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -72.45 -36.74 68.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.412 ' O ' ' CG1' ' A' ' 221' ' ' VAL . 6.6 t -67.93 -37.85 82.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -29.78 70.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -72.69 -26.24 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 218' ' ' CYS . 1.1 p . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 8.4 mm -77.2 -18.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.23 -32.99 74.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -68.47 -15.54 63.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.614 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -85.96 97.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.47 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.0 ptt180 -125.14 170.02 11.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.593 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tt0 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.207 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 34.7 t80 -69.48 -30.01 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.0 -45.78 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.2 t80 -66.29 -43.02 87.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.601 1.188 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.79 -42.48 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -57.95 -42.99 86.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -44.72 85.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 172' ' ' LEU . 41.3 t80 -58.31 -47.99 81.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.5 m-85 -75.6 -20.58 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -72.66 -44.8 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.436 ' OG1' HD11 ' A' ' 153' ' ' ILE . 95.4 m -74.78 -37.75 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.51 -45.15 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.78 4.8 20.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 191' ' ' VAL . 18.4 pm0 -67.03 -28.63 68.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.438 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.21 -41.36 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.4 OUTLIER -73.47 -45.79 52.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.415 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 0.7 OUTLIER -61.13 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 187' ' ' GLU . 46.5 t -69.74 -46.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . 0.456 ' HA ' ' HZ1' ' A' ' 199' ' ' LYS . 0.9 OUTLIER -64.45 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' LEU . 12.0 t-20 -91.25 15.3 12.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -97.82 164.72 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.436 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -52.7 174.6 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.02 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.85 -54.25 25.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.8 t -54.45 -37.74 65.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 108.394 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . 0.456 ' HZ1' ' HA ' ' A' ' 192' ' ' GLN . 0.0 OUTLIER -58.59 -46.59 86.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.5 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.447 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.407 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.01 -35.36 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -69.6 -34.3 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -39.12 84.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.11 45.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -65.6 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.21 149.74 7.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 57.32 4.5 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.97 44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.082 . . . . 0.0 111.054 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.434 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.39 162.8 24.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 9.3 t -88.83 161.59 16.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -33.67 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -39.88 94.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.428 ' CG ' ' CD2' ' A' ' 205' ' ' LEU . 1.7 tp10 -75.35 -37.14 60.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.13 -46.21 78.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -72.25 -32.58 66.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.319 1.012 . . . . 0.0 110.985 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' THR . . . . . 0.444 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -67.26 -38.96 85.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 205' ' ' LEU . . . -72.32 -42.37 65.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 9.1 t -58.49 -41.73 85.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.82 -25.37 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.38 1.05 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.56 -29.88 57.24 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 171' ' ' THR . 4.1 mm -82.41 -18.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.672 1.232 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.04 -36.73 84.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.47 -21.53 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.3 mp -81.54 99.73 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.406 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 2.1 ptt180 -129.34 167.82 17.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.579 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.8 tt0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . 0.405 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' A' ' 218' ' ' CYS . 18.5 t80 -66.76 -23.44 66.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.92 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -65.71 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 16.5 t80 -66.39 -43.17 86.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.39 -43.15 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 170' ' ' LYS . 1.2 m-20 -59.37 -42.09 90.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -67.86 -44.89 76.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.435 ' CE1' HG22 ' A' ' 186' ' ' THR . 43.5 t80 -58.68 -47.61 83.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.484 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -76.22 -21.1 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 166' ' ' ASP . 18.1 mtpt -71.99 -44.59 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 150' ' ' ILE . 27.6 m -74.93 -39.01 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.38 -50.25 73.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -66.34 -9.74 36.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.435 HG22 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -43.17 27.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 189' ' ' LEU . 8.6 t -65.76 -36.77 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.8 OUTLIER -72.9 -46.94 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.76 -43.5 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.476 ' CG2' HD12 ' A' ' 202' ' ' LEU . 39.6 t -68.65 -47.14 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.3 -38.23 90.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 189' ' ' LEU . 19.0 t-20 -88.16 11.51 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.415 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -101.6 156.63 17.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.2 OUTLIER -48.41 175.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.239 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.96 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -51.06 -55.16 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.91 -38.04 67.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.03 -45.26 91.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 95.3 m -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.411 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.77 -37.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 191' ' ' VAL . 10.4 mt -69.41 -34.84 75.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -36.3 79.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.41 -25.79 46.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 209' ' ' ALA . 0.3 OUTLIER -58.24 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.31 154.7 11.98 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 56.66 4.37 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.525 1.803 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.42 45.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 205' ' ' LEU . . . -80.42 159.22 25.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 12.3 t -93.2 160.01 15.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.22 -37.29 54.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.57 -46.73 89.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.451 ' CG ' ' CD2' ' A' ' 205' ' ' LEU . 2.1 tp10 -63.92 -36.63 84.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 4.4 mtt -63.05 -43.63 98.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.69 -35.39 77.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -37.5 85.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.436 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -72.16 -38.53 69.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 10.7 t -63.87 -41.26 97.8 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.504 1.127 . . . . 0.0 108.363 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -28.38 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.75 -27.74 64.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 O-C-N 124.561 0.801 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 33.2 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.479 ' CD1' HG23 ' A' ' 171' ' ' THR . 7.5 mm -79.6 -26.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' ' 149' ' ' SER . 0.7 OUTLIER -60.46 -32.45 71.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -19.4 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.404 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.605 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -84.82 99.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.529 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -125.52 168.59 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.594 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 58.6 t80 -67.78 -30.52 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -61.45 -45.78 92.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.231 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -33.49 75.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.594 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 11.0 t80 -67.64 -41.16 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.56 -43.03 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.47 -45.88 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -43.79 98.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 186' ' ' THR . 48.3 t80 -58.52 -47.19 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.485 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -74.76 -20.13 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -71.71 -45.32 62.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.479 HG23 ' CD1' ' A' ' 150' ' ' ILE . 76.4 m -75.41 -39.36 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.53 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -48.18 79.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.209 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -11.63 26.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 2.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 188' ' ' THR . 15.6 pm0 -75.84 -32.61 59.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.6 OUTLIER -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.34 -46.95 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.502 HD11 ' CG ' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -57.3 -44.28 83.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.232 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 202' ' ' LEU . 36.6 t -70.16 -47.62 66.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -60.23 -38.09 82.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 43.3 t-20 -89.76 15.53 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -91.65 165.58 13.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.409 1.068 . . . . 0.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.481 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -54.13 176.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.99 -52.83 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.3 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.02 -36.86 65.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -57.62 -45.8 84.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.3 m -63.4 -42.15 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.439 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.88 -37.09 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.465 ' HG ' ' CG1' ' A' ' 191' ' ' VAL . 0.3 OUTLIER -72.39 -34.36 67.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -37.8 88.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -80.08 -28.38 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.526 ' CD2' ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -66.68 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 170.62 155.01 9.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 57.63 4.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.63 54.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.526 ' CB ' ' CD2' ' A' ' 205' ' ' LEU . . . -79.97 160.01 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.87 155.96 40.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -50.37 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -35.44 77.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.23 -44.88 74.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.213 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 19.3 mtm -63.11 -41.46 99.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.589 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.25 -33.37 71.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -39.3 85.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 205' ' ' LEU . . . -72.21 -39.03 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.441 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 6.7 t -64.41 -45.43 87.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.54 71.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 197' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' A' ' 171' ' ' THR . 5.1 mm -79.13 -19.32 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.89 -37.82 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.98 -21.21 65.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.225 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.586 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.3 mp -82.79 92.56 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.08 169.97 14.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.118 . . . . 0.0 110.22 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 56.2 t80 -70.34 -27.17 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -66.59 -46.58 75.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.57 -40.27 92.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.434 ' CE2' HD13 ' A' ' 190' ' ' LEU . 5.1 t80 -62.8 -43.18 99.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.89 -41.85 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -42.81 83.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.24 -42.87 96.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.429 ' N ' HG22 ' A' ' 153' ' ' ILE . 52.9 t80 -58.2 -47.62 82.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.46 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -74.45 -21.52 59.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.92 -44.63 61.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.451 HG21 ' CD1' ' A' ' 150' ' ' ILE . 45.4 m -74.62 -35.85 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.579 1.175 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.98 -45.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -62.86 -13.9 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.364 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -51.55 -40.14 59.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.203 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 189' ' ' LEU . 0.6 OUTLIER -65.11 -29.8 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.418 ' N ' HG21 ' A' ' 188' ' ' THR . 4.7 mt -70.39 -47.36 61.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.434 HD13 ' CE2' ' A' ' 164' ' ' TYR . 1.2 tp -58.7 -43.52 90.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.584 1.178 . . . . 0.0 109.34 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 202' ' ' LEU . 55.1 t -67.53 -46.81 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.89 -40.3 96.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.72 7.97 18.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -100.81 159.56 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.3 OUTLIER -46.34 171.41 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 3.7 m-20 -52.58 -49.49 64.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.5 t -54.0 -37.05 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -58.1 -43.92 87.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.412 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.5 m -65.65 -41.57 92.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.436 HG22 ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.95 -38.93 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 191' ' ' VAL . 4.3 mt -69.37 -33.73 73.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.48 -34.93 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.08 -28.75 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.5 OUTLIER -58.73 -87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.27 152.43 9.95 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.591 1.182 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 56.93 4.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.408 1.741 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.56 44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.24 161.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 15.0 t -89.98 152.67 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 8.5 tt -45.81 -36.66 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -44.36 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.456 ' CG ' HD21 ' A' ' 205' ' ' LEU . 0.6 OUTLIER -67.68 -42.11 82.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.452 ' CE ' HD22 ' A' ' 202' ' ' LEU . 2.7 mtt -63.14 -42.14 99.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.596 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.4 ttt -69.31 -35.11 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -37.75 83.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 205' ' ' LEU . . . -72.51 -37.92 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 9.5 t -63.54 -41.97 98.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 108.333 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -24.52 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.45 -32.98 45.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.422 1.076 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 109.235 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 171' ' ' THR . 7.8 mm -77.96 -16.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -67.0 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.01 -15.42 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.612 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -84.23 90.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.455 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.1 ptt85 -117.58 163.64 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.588 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.096 -0.386 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.593 ' CD1' ' SG ' ' A' ' 218' ' ' CYS . 20.2 t80 -67.4 -28.79 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -65.12 -46.79 79.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.6 -34.43 76.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 17.7 t80 -65.76 -42.03 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 8.6 t -68.86 -41.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.91 -41.49 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -44.76 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.426 ' N ' HG21 ' A' ' 153' ' ' ILE . 48.2 t80 -58.82 -47.26 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.19 -21.33 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -72.57 -44.56 61.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.474 HG22 ' CD1' ' A' ' 150' ' ' ILE . 54.4 m -73.67 -38.59 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.82 -45.21 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.61 1.22 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.568 0.223 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.403 ' CD ' ' SD ' ' A' ' 214' ' ' MET . 1.8 tp10 -64.31 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -39.73 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.445 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.25 -46.3 67.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.437 HD23 ' CZ ' ' A' ' 161' ' ' PHE . 1.5 tp -56.89 -46.5 81.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 202' ' ' LEU . 63.1 t -66.09 -45.13 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.53 -37.22 86.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 29.8 t-20 -90.28 6.01 44.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -94.54 156.29 16.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.72 169.73 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.1 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 201' ' ' ILE . 5.0 m-20 -51.13 -49.23 61.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.6 t -54.24 -37.21 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 108.247 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.8 m -64.36 -40.92 96.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 197' ' ' ASP . 0.5 OUTLIER -65.11 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 191' ' ' VAL . 8.1 mt -72.39 -27.8 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -70.21 -44.82 67.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.57 -36.7 60.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -56.82 -72.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . 0.445 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . 177.41 141.74 4.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.29 4.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.756 . . . . 0.0 111.021 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 130.34 46.25 0.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -75.73 167.65 21.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 211' ' ' LEU . 0.7 OUTLIER -68.63 174.34 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.403 ' N ' HG22 ' A' ' 210' ' ' THR . 2.7 mm? -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.54 -33.93 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 205' ' ' LEU . 0.8 OUTLIER -71.92 -42.88 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 187' ' ' GLU . 2.3 mmt -63.73 -42.19 97.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.535 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 19.4 mtp -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -40.55 94.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -72.45 -46.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.593 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 4.4 t -57.58 -36.16 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -25.81 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.73 -24.51 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.215 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.433 ' O ' ' HB ' ' A' ' 153' ' ' ILE . 8.1 mm -73.67 -20.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -38.54 90.86 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.88 -24.77 66.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.619 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.1 mp -77.09 103.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 166.99 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.231 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.469 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 1.6 mt-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.1 t80 -66.24 -34.86 78.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -59.81 -45.44 92.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.83 -33.48 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.469 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 16.9 t80 -68.84 -38.16 79.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.78 -45.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.55 -43.63 84.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -44.51 90.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.495 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.4 t80 -58.33 -47.44 83.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -74.68 -21.3 59.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -72.74 -44.78 61.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.43 HG21 ' CD1' ' A' ' 150' ' ' ILE . 47.8 m -74.39 -37.24 63.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.537 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.44 -46.73 83.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -74.07 -6.08 45.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.282 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 189' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.467 ' HB2' ' CE ' ' A' ' 214' ' ' MET . 1.3 pt-20 -47.53 -29.08 2.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.189 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.409 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -70.93 -38.18 72.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.16 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -71.77 -46.3 58.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.21 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.41 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 0.6 OUTLIER -59.57 -44.0 93.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 202' ' ' LEU . 78.2 t -67.33 -46.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.53 -38.25 90.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.368 1.042 . . . . 0.0 110.245 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 28.8 t-20 -86.4 7.71 24.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.42 ' HB1' ' NE2' ' A' ' 155' ' ' GLN . . . -95.34 158.02 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -47.18 172.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.03 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 21.0 m-20 -52.61 -49.29 65.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.0 t -54.23 -37.16 64.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 108.365 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -58.17 -46.51 85.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 64.6 m -62.74 -41.01 98.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.465 HG21 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -66.21 -36.29 77.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.469 1.105 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -72.05 -27.64 62.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -72.54 -47.9 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.99 -25.66 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.49 ' CD1' ' CG ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -66.89 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . 0.425 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 179.84 141.02 4.42 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.581 1.176 . . . . 0.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 131.78 49.34 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 213' ' ' GLU . . . -80.38 167.84 19.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 13.1 t -75.95 159.0 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.08 -43.47 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.75 -44.01 85.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.49 ' CG ' ' CD1' ' A' ' 205' ' ' LEU . 0.8 OUTLIER -67.6 -40.08 84.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 6.7 mtt -62.92 -42.83 99.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.76 -31.68 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 110.962 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -40.04 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.465 ' CB ' HG21 ' A' ' 201' ' ' ILE . . . -72.11 -46.27 57.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 7.3 t -55.2 -42.52 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.335 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.8 -24.67 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.03 -22.93 64.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 8.5 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.468 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -78.92 -18.49 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.77 -34.18 77.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.1 -15.62 63.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.607 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -86.9 78.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.5 168.44 13.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 15.2 t80 -70.55 -32.49 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.71 -45.14 95.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.77 -33.31 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 3.5 t80 -67.78 -41.96 82.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.73 -45.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.212 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -58.84 -43.79 90.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.49 -44.06 79.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.457 ' N ' HG21 ' A' ' 153' ' ' ILE . 50.6 t80 -58.35 -48.12 81.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -75.62 -21.95 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -73.15 -44.36 60.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.468 ' CG2' HD13 ' A' ' 150' ' ' ILE . 96.5 m -74.12 -36.48 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.95 -46.83 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.412 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -77.29 1.06 19.84 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.406 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -33.81 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 192' ' ' GLN . 0.6 OUTLIER -70.56 -35.95 73.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.8 mt -74.09 -46.86 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.62 -41.98 82.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 202' ' ' LEU . 24.6 t -73.06 -47.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 188' ' ' THR . 1.7 mt-30 -61.28 -46.66 89.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 2.0 t-20 -77.14 0.42 21.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -97.16 163.13 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -45.02 168.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.065 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -52.93 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.408 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.7 OUTLIER -51.37 -51.0 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 12.0 t -54.28 -37.31 64.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . 0.553 ' HZ1' ' HB3' ' A' ' 199' ' ' LYS . 0.0 OUTLIER -58.28 -43.75 88.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.383 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.6 m -65.08 -41.61 94.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.408 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.78 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.48 HD11 ' CG1' ' A' ' 191' ' ' VAL . 3.9 mt -69.56 -31.47 69.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -39.64 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.248 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.8 62.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' ' 217' ' ' ALA . 0.8 OUTLIER -52.36 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.44 155.4 12.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.689 1.243 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 57.81 4.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 45.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.647 1.217 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.465 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -79.54 158.21 27.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -91.65 152.68 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 169' ' ' TYR . 2.9 mp -44.42 -37.0 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.54 -43.76 98.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.447 ' CG ' ' CD2' ' A' ' 205' ' ' LEU . 4.2 tp10 -68.8 -42.19 77.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.465 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 2.7 mtt -62.66 -43.01 99.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.576 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -68.74 -35.58 77.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -38.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -72.29 -36.4 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.23 -41.99 89.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.88 -25.6 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.58 -28.25 59.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.737 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.407 ' O ' ' HB ' ' A' ' 153' ' ' ILE . 2.6 mm -73.09 -19.23 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.61 -36.85 85.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.209 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.7 -21.71 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.633 1.208 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.3 mp -80.94 100.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.42 164.23 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.487 ' OE1' ' CB ' ' A' ' 194' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.9 t80 -67.48 -36.02 80.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.51 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.64 -35.62 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.402 ' CE1' HG22 ' A' ' 153' ' ' ILE . 7.3 t80 -67.72 -40.75 84.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.59 -44.11 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -57.43 -44.83 85.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.92 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.442 ' N ' HG23 ' A' ' 153' ' ' ILE . 51.2 t80 -58.14 -47.44 83.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.48 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 5.0 m-85 -73.93 -21.31 60.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -72.4 -45.02 61.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.43 ' OG1' HD11 ' A' ' 153' ' ' ILE . 75.7 m -74.43 -36.42 63.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.34 -48.54 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 3.49 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 189' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.4 -39.46 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -35.41 80.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 186' ' ' THR . 4.1 mt -67.54 -46.93 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 1.6 tp -58.02 -42.8 86.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.478 HG12 ' CD2' ' A' ' 202' ' ' LEU . 38.3 t -65.97 -48.98 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.049 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.93 92.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 189' ' ' LEU . 17.5 t-20 -88.14 12.92 12.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.398 1.061 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -108.03 148.46 29.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.2 OUTLIER -42.18 164.76 0.1 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.345 1.028 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.06 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.567 1.824 . . . . 0.0 110.986 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -45.98 45.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 44.3 t -58.41 -36.64 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -47.03 84.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -42.23 98.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -41.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.387 1.054 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.478 ' CD2' HG12 ' A' ' 191' ' ' VAL . 4.2 tp -69.14 -25.19 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -71.17 -47.62 56.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.89 -19.44 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.388 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 206' ' ' GLY . 0.2 OUTLIER -84.94 -72.55 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . 0.486 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . 179.85 131.62 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.47 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.498 1.788 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.94 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.46 ' HB3' ' CG ' ' A' ' 213' ' ' GLU . . . -80.48 169.25 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 0.748 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -59.85 159.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 210' ' ' THR . 0.1 OUTLIER -52.94 -49.81 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.93 -31.75 68.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 209' ' ' ALA . 0.9 OUTLIER -67.94 -45.29 74.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 53.3 mtm -63.61 -43.82 95.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.568 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.4 ttp -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.06 -40.59 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -70.35 -39.37 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.54 -43.7 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 108.318 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -25.34 67.25 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.57 -25.97 62.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 6.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.8 mm -78.7 -16.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -27.78 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.1 -7.07 53.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' A' ' 171' ' ' THR . 3.0 mp -94.12 97.49 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 7.2 ttt180 -128.58 162.42 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.587 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 38.9 t80 -55.13 -31.4 61.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -62.1 -45.48 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.27 -36.97 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.587 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 12.4 t80 -64.52 -41.65 96.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.8 -42.19 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.57 -41.6 81.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -66.74 -44.91 80.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 172' ' ' LEU . 48.3 t80 -58.84 -47.65 84.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.25 -20.19 57.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.357 1.036 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -46.26 57.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.503 ' CB ' HD12 ' A' ' 153' ' ' ILE . 31.5 m -75.96 -33.05 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -55.09 -39.47 69.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -58.2 -21.15 46.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.372 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.45 -47.05 70.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.6 mt -72.57 -47.03 51.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.35 -44.4 92.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.407 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.447 ' CG1' HD11 ' A' ' 202' ' ' LEU . 58.4 t -68.9 -44.69 81.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -37.59 87.67 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 15.1 t-20 -88.1 6.63 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -96.52 158.62 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.2 OUTLIER -49.35 175.51 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.427 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -74.96 -52.94 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.43 1.752 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 201' ' ' ILE . 1.5 m-20 -51.48 -54.55 25.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.63 -37.3 65.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.504 1.127 . . . . 0.0 108.36 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -58.21 -44.82 88.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.7 m -64.91 -41.91 95.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.457 HG23 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.1 -35.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.09 . . . . 0.0 109.356 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 214' ' ' MET . 6.9 mt -70.11 -35.24 73.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -68.45 -35.52 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -27.97 43.18 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -54.84 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 173.75 154.93 11.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.89 4.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.62 45.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.472 ' CB ' HD22 ' A' ' 205' ' ' LEU . . . -78.85 159.93 27.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 0.781 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 12.3 t -91.28 160.6 15.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.43 -40.48 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.87 -39.74 86.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.433 ' CG ' HD22 ' A' ' 205' ' ' LEU . 3.2 tp10 -70.27 -38.54 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.449 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 1.2 mtt -65.06 -44.34 89.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 23.3 ttp -70.92 -34.19 71.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -39.0 86.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 205' ' ' LEU . . . -72.35 -39.68 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.408 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 6.8 t -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.61 67.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.209 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.46 -29.33 55.96 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 221' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 171' ' ' THR . 4.9 mm -80.93 -16.69 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.33 -29.47 69.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.8 -13.53 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.62 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -85.4 105.99 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.4 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -140.02 167.1 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.514 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 72.8 t80 -70.51 -23.58 62.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -67.37 -46.62 72.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -35.47 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.514 ' CG ' ' HB2' ' A' ' 155' ' ' GLN . 11.2 t80 -65.65 -47.08 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.19 -43.56 96.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -58.0 -43.26 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -44.29 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.463 ' N ' HG21 ' A' ' 153' ' ' ILE . 53.8 t80 -58.25 -47.07 84.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -75.2 -21.71 58.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -44.37 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.467 ' CG2' HD13 ' A' ' 150' ' ' ILE . 92.4 m -73.89 -39.54 63.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.16 -47.09 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -9.46 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -58.5 -38.49 77.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.3 mt -69.59 -47.27 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.199 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -57.56 -44.14 85.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.53 -47.15 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.83 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 30.9 t-20 -92.15 17.42 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -114.08 155.47 25.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 5.2 p-10 -41.38 162.17 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.01 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.14 -46.51 45.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.454 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 49.3 t -57.45 -36.27 71.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -63.12 -42.67 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.27 -36.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -33.01 72.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -67.31 -41.21 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.36 54.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.492 ' CD2' ' HG2' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -66.71 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.88 154.81 13.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.38 4.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.58 55.07 0.06 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.474 ' O ' ' CE ' ' A' ' 214' ' ' MET . . . -80.42 165.87 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 0.723 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.24 152.8 39.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.333 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.91 -44.68 60.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.26 -33.88 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.492 ' HG2' ' CD2' ' A' ' 205' ' ' LEU . 3.3 tt0 -72.19 -42.42 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -64.76 -47.21 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.4 ptt? -68.3 -31.64 71.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.1 m -67.83 -38.74 83.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -71.87 -38.55 70.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.04 -47.03 84.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -62.02 -29.59 70.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.18 -26.78 69.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.1 mm -79.95 -20.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.08 -40.27 93.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.52 -24.7 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.604 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -80.88 96.61 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.192 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -134.57 170.68 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 16.9 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.9 t80 -68.55 -30.71 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 111.003 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -46.18 86.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -66.63 -37.09 84.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.259 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 8.6 t80 -65.32 -42.0 93.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.08 -42.27 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -57.59 -44.0 85.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.461 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.2 OUTLIER -63.72 -43.33 96.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.419 ' N ' HG22 ' A' ' 153' ' ' ILE . 51.6 t80 -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.8 m-85 -75.16 -21.6 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -72.92 -44.4 61.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.464 ' CG2' HD13 ' A' ' 150' ' ' ILE . 57.2 m -74.2 -37.2 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.537 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.49 -50.34 73.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -8.16 37.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 188' ' ' THR . 1.7 pm0 -65.25 -30.58 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.432 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.05 -43.6 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.3 mt -68.67 -46.46 69.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 164' ' ' TYR . 1.2 tp -57.98 -44.13 86.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 202' ' ' LEU . 42.1 t -65.71 -47.64 85.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -38.01 89.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 42.9 t-20 -89.35 13.81 12.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.198 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.421 ' HB1' ' NE2' ' A' ' 155' ' ' GLN . . . -103.14 158.98 15.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -48.16 175.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.06 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.829 . . . . 0.0 110.992 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.9 OUTLIER -51.76 -54.08 32.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 20.5 t -54.58 -37.5 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.61 -44.52 89.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.9 m -65.15 -41.85 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.455 HG23 ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -38.69 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.201 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 191' ' ' VAL . 5.6 mt -72.4 -29.9 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -70.3 -35.44 73.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.56 -31.1 41.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -53.26 -84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 164.57 155.49 8.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.34 4.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 167.01 40.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' A' ' 205' ' ' LEU . . . -80.02 157.35 26.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 212' ' ' GLU . 7.6 p -101.36 -172.01 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 211' ' ' LEU . 1.6 tm? -70.95 -55.39 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 213' ' ' GLU . 1.2 pp20? -54.24 -42.25 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 212' ' ' GLU . 1.2 tp10 -67.36 -44.22 79.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.85 -42.3 98.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.567 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.41 -32.68 70.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -40.05 89.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.484 ' HB3' ' CD1' ' A' ' 205' ' ' LEU . . . -71.67 -40.29 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.81 -38.33 90.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.78 -27.69 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.335 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.19 -25.93 69.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.412 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 8.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.48 ' CD1' HG23 ' A' ' 171' ' ' THR . 6.8 mm -73.79 -19.08 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -32.66 74.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.41 -14.8 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -87.25 96.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.519 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 8.5 mtt85 -122.23 164.03 18.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 4.6 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 57.0 t80 -63.53 -29.91 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.194 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.625 HH21 ' HD2' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -34.21 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.574 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 14.7 t80 -67.21 -38.92 86.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.9 t -70.79 -41.92 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.625 ' HD2' HH21 ' A' ' 162' ' ' ARG . 6.9 t70 -57.68 -44.9 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -44.34 88.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' A' ' 172' ' ' LEU . 46.8 t80 -58.19 -47.83 82.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.487 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -75.38 -21.0 58.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -72.28 -45.19 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.48 HG23 ' CD1' ' A' ' 150' ' ' ILE . 53.0 m -74.84 -36.58 62.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -57.06 -42.05 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.94 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 191' ' ' VAL . 9.6 pm0 -60.87 -29.1 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.39 -42.44 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 161' ' ' PHE . 1.0 OUTLIER -59.15 -44.07 92.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 187' ' ' GLU . 56.0 t -66.13 -46.39 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.7 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.2 t-20 -87.48 8.98 22.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -95.59 166.69 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.27 172.71 0.27 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.6 1.187 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -52.54 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -51.58 -50.7 59.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -54.22 -37.91 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.46 -43.37 88.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 85.0 m -65.22 -40.69 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 197' ' ' ASP . 0.7 OUTLIER -63.74 -46.18 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -68.96 -24.43 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -73.4 -49.32 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.389 1.056 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.5 -18.71 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.48 ' CD1' ' CG ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -78.62 -68.46 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 166.21 133.45 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 57.17 4.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 164.57 41.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.596 1.185 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 205' ' ' LEU . . . -80.95 162.12 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 213' ' ' GLU . 10.1 t -92.43 154.79 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 210' ' ' THR . 0.9 OUTLIER -39.59 -37.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.59 -51.57 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.48 ' CG ' ' CD1' ' A' ' 205' ' ' LEU . 1.0 OUTLIER -66.06 -38.43 88.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.234 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.418 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 1.4 mtt -63.51 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.593 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.9 -33.05 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -40.22 88.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.72 -41.91 67.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.434 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 5.8 t -61.3 -40.2 93.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.79 -24.65 66.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.282 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.26 -25.26 61.85 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.553 1.158 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.195 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 4.0 mm -73.07 -18.15 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.5 pp -66.94 -30.85 71.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.7 -15.58 62.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.61 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -83.75 77.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.2 170.9 8.9 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.565 ' NE2' HD22 ' A' ' 195' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.58 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 19.4 t80 -70.81 -32.1 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -46.08 91.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.29 -33.44 75.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.43 ' OH ' ' C ' ' A' ' 193' ' ' ASN . 4.1 t80 -66.95 -44.11 81.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.23 -42.5 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.436 ' HB3' ' CE ' ' A' ' 170' ' ' LYS . 1.4 m-20 -58.91 -44.31 91.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -43.27 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.501 ' CE2' ' HB2' ' A' ' 190' ' ' LEU . 53.7 t80 -58.45 -47.36 84.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.493 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -76.26 -21.96 55.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.436 ' CE ' ' HB3' ' A' ' 166' ' ' ASP . 14.9 mtmt -72.64 -44.09 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.429 ' OG1' HD11 ' A' ' 153' ' ' ILE . 34.8 m -74.01 -39.28 63.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 0.0 110.445 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.51 -49.52 76.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 173' ' ' ARG . 2.9 ttp-105 -67.59 -16.0 63.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 189' ' ' LEU . 15.1 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 188' ' ' THR . 0.9 OUTLIER -47.23 -28.89 2.08 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.452 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.07 -35.5 71.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.3 mt -75.39 -44.15 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.501 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -58.62 -42.72 88.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.479 ' CG2' HD12 ' A' ' 202' ' ' LEU . 38.7 t -75.35 -47.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.6 tp60 -60.7 -40.27 91.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 189' ' ' LEU . 2.6 t-20 -88.15 14.9 8.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 109.406 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -111.34 159.94 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.565 HD22 ' NE2' ' A' ' 155' ' ' GLN . 0.2 OUTLIER -42.51 165.3 0.1 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.583 1.833 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.59 -51.92 33.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.458 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 10.6 t -56.37 -36.81 69.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 108.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -57.59 -44.98 85.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 63.6 m -64.16 -42.13 96.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.456 HG23 ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -37.52 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.479 HD12 ' CG2' ' A' ' 191' ' ' VAL . 1.4 mt -72.22 -31.93 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -67.02 -38.27 85.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.228 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.53 -30.79 53.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.513 ' CD2' ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -57.52 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.83 155.68 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 56.8 4.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 151.69 50.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.513 ' CB ' ' CD2' ' A' ' 205' ' ' LEU . . . -79.23 157.26 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.799 . . . . 0.0 109.259 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 12.9 t -93.65 154.57 17.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 2.8 mp -44.81 -36.07 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.46 -50.05 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.467 ' CG ' ' CD2' ' A' ' 205' ' ' LEU . 4.6 tp10 -68.26 -36.07 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.415 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 4.4 mtt -65.21 -46.56 80.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.58 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 1.5 ttp -69.5 -32.69 71.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -38.81 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 205' ' ' LEU . . . -72.35 -37.67 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.54 -43.26 97.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 108.348 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.16 -26.97 65.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.464 HD12 ' CG2' ' A' ' 171' ' ' THR . 6.8 mm -80.17 -17.1 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.94 -30.68 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.91 -14.47 61.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -85.23 98.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.38 171.59 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.495 ' OE1' ' CB ' ' A' ' 194' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.2 t80 -70.35 -34.8 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.03 90.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.435 ' OH ' ' O ' ' A' ' 190' ' ' LEU . 11.5 t80 -62.55 -43.85 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.89 -42.5 96.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.626 1.204 . . . . 0.0 109.284 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -40.88 79.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.41 -44.89 81.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 153' ' ' ILE . 49.1 t80 -58.13 -47.36 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.458 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -75.84 -21.23 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -72.43 -44.6 62.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.464 ' CG2' HD12 ' A' ' 150' ' ' ILE . 59.7 m -74.04 -39.12 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.91 -47.63 82.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.5 mtt85 -75.78 -7.44 54.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 109.304 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 188' ' ' THR . 1.4 pm0 -66.46 -29.14 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.22 -38.19 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -46.71 51.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.86 -44.58 94.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.48 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 34.7 t -68.14 -46.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.1 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 13.6 t-20 -94.93 20.39 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 155' ' ' GLN . . . -108.84 159.4 16.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.4 OUTLIER -43.18 165.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 199' ' ' LYS . 18.0 Cg_endo -75.04 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.48 -47.4 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 15.1 t -59.1 -35.59 73.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.342 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 3.0 tttm -56.9 -47.33 80.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 53.7 m -62.22 -43.4 98.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.458 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.466 ' O ' ' CD1' ' A' ' 205' ' ' LEU . 0.5 OUTLIER -63.28 -37.71 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 191' ' ' VAL . 0.1 OUTLIER -66.69 -35.32 79.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -64.04 -40.32 96.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.88 -26.25 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -61.92 -92.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.68 154.73 13.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.098 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.39 5.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.23 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.578 1.174 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.73 162.54 24.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 3.6 t -94.95 165.27 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.81 -52.15 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -46.14 -39.54 9.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -38.91 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 40.8 mtt -63.86 -44.62 92.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.548 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 34.8 ttp -70.39 -35.66 73.61 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.414 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.484 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -72.4 -42.65 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 11.6 t -57.98 -44.06 86.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.8 -25.33 67.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.91 -28.91 58.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.422 1.077 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 171' ' ' THR . 8.5 mm -78.62 -18.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.15 -33.11 75.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.232 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.26 -15.65 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.61 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -85.84 97.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 8.2 ttm180 -124.05 161.04 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.592 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 4.7 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.4 t80 -58.65 -28.18 65.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.81 -34.14 77.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.592 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.8 t80 -66.87 -41.01 87.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 190' ' ' LEU . 4.2 t -68.44 -42.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.61 -44.68 85.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -44.14 92.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.438 ' CG ' HD12 ' A' ' 190' ' ' LEU . 48.4 t80 -58.13 -47.27 83.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -75.58 -20.6 58.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.88 -45.16 62.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.476 HG23 ' CD1' ' A' ' 150' ' ' ILE . 25.5 m -74.88 -37.79 62.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -45.41 84.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -84.38 9.91 12.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 110.175 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 189' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.44 ' O ' ' CG2' ' A' ' 191' ' ' VAL . 1.6 tp10 -45.31 -30.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -40.46 73.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 186' ' ' THR . 2.7 mp -71.77 -47.11 55.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.438 HD12 ' CG ' ' A' ' 168' ' ' PHE . 1.0 OUTLIER -58.72 -43.82 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 187' ' ' GLU . 54.9 t -68.6 -46.51 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -62.89 -38.06 89.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 154' ' ' ARG . 0.1 OUTLIER -87.94 13.05 11.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -87.45 170.24 11.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.464 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.3 m-20 -62.9 175.87 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.98 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.498 1.788 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.85 -46.58 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.9 t -54.0 -36.48 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . 0.493 ' HA ' ' CD2' ' A' ' 202' ' ' LEU . 9.4 tttm -60.95 -41.69 96.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.2 m -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 110.444 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 199' ' ' LYS . 4.5 pp -69.9 -25.11 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -71.74 -44.89 63.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -20.17 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -82.8 -68.12 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . 0.45 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . 174.81 132.28 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 138.59 44.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.03 170.62 16.21 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.546 0.792 . . . . 0.0 109.209 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.9 162.17 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.21 -54.89 39.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 3.3 mt-10 -57.22 -27.7 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.475 ' CG ' HD12 ' A' ' 205' ' ' LEU . 0.1 OUTLIER -71.64 -44.72 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -46.93 80.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.593 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 5.0 ppp? -69.58 -29.1 66.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 216' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 212' ' ' GLU . 1.2 m -67.86 -41.48 82.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.06 70.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.467 ' O ' ' CG1' ' A' ' 221' ' ' VAL . 7.2 t -59.79 -45.82 91.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 108.244 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -26.97 68.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.63 -23.29 67.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.552 1.158 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 218' ' ' CYS . 4.2 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 171' ' ' THR . 3.7 mm -87.91 -18.34 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.413 ' HA ' ' ND2' ' A' ' 193' ' ' ASN . 0.5 OUTLIER -64.44 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -70.52 -20.1 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.6 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -80.15 82.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' A' ' 164' ' ' TYR . 5.1 ptt180 -127.9 169.8 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.599 1.187 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 155' ' ' GLN . 2.1 pm0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.5 t80 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -62.27 -44.2 97.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.92 -33.49 75.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 154' ' ' ARG . 3.3 t80 -67.31 -43.36 81.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.61 -45.39 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.386 1.054 . . . . 0.0 109.231 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.37 -45.87 90.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.364 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -66.27 -41.95 89.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 190' ' ' LEU . 56.0 t80 -59.78 -47.37 85.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.48 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.5 m-85 -75.09 -21.77 58.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -72.7 -44.51 61.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.468 HG22 ' CD1' ' A' ' 150' ' ' ILE . 58.7 m -73.99 -37.43 64.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.93 -49.54 76.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -11.43 34.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 189' ' ' LEU . 3.3 m . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.02 -34.23 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 192' ' ' GLN . 0.4 OUTLIER -66.25 -37.56 85.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.364 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' THR . 3.3 mt -71.31 -46.59 60.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -54.27 -42.82 70.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.201 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 46.8 t -72.37 -47.79 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 188' ' ' THR . 2.5 mt-30 -58.56 -52.95 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.414 ' C ' ' OH ' ' A' ' 164' ' ' TYR . 3.1 t-20 -70.11 -5.22 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -95.19 153.3 17.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 3.9 p-10 -40.27 160.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -49.13 -46.11 44.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 49.7 t -54.53 -37.33 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -45.75 87.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.9 m -62.8 -40.72 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.424 1.078 . . . . 0.0 110.454 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -43.25 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.35 -22.8 61.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -71.6 -47.29 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.59 -22.96 53.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -82.33 -56.5 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.362 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 168.37 127.13 0.89 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.48 44.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.468 ' HB2' ' CG ' ' A' ' 213' ' ' GLU . . . -80.25 167.2 20.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -59.04 167.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 210' ' ' THR . 6.2 tt -56.23 -56.74 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -32.1 53.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 209' ' ' ALA . 1.7 tt0 -67.52 -46.68 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.09 97.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.8 ttm -70.24 -31.98 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -39.99 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -71.45 -42.81 67.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 8.0 t -58.94 -45.89 89.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.286 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.68 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.09 -22.85 64.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.358 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.4 ' C ' HG22 ' A' ' 171' ' ' THR . 1.7 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.485 ' CD1' HG22 ' A' ' 171' ' ' THR . 5.5 mm -83.82 -18.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.18 -22.83 63.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.583 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -76.3 119.5 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.451 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 10.0 ptt180 -152.59 164.24 38.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.227 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.439 ' OE1' ' CG ' ' A' ' 195' ' ' ASN . 1.2 tm0? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 76.1 t80 -70.49 -22.65 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -45.66 82.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.177 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -64.0 -39.43 94.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.223 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.5 ' CE1' HG23 ' A' ' 153' ' ' ILE . 12.5 t80 -63.03 -44.75 95.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.7 -43.18 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.419 ' HB3' ' HZ1' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -57.88 -42.77 85.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -66.67 -44.82 80.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 190' ' ' LEU . 62.3 t80 -58.25 -47.12 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -74.35 -22.71 59.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.419 ' HZ1' ' HB3' ' A' ' 166' ' ' ASP . 44.7 mttt -72.93 -44.57 61.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.224 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.485 HG22 ' CD1' ' A' ' 150' ' ' ILE . 54.8 m -74.03 -35.14 64.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.462 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.65 -39.81 74.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -61.4 -32.05 71.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.409 ' CD ' ' C ' ' A' ' 187' ' ' GLU . 3.4 tm-20 -51.03 -39.49 56.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -28.49 68.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -72.23 -47.0 53.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.602 1.189 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -58.7 -44.94 90.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.62 -46.68 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.09 89.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 36.7 t-20 -92.42 17.66 9.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -113.02 160.54 18.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 4.0 p-10 -41.81 162.43 0.14 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -75.1 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.27 -44.75 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.463 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 43.2 t -59.28 -35.75 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -56.73 -47.07 80.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 51.6 m -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.415 HG22 ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.27 -34.63 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.88 -34.6 73.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -67.53 -38.25 83.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.143 . . . . 0.0 109.404 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.59 -23.03 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -69.46 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.3 153.42 10.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 57.89 4.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 152.46 49.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -79.9 155.33 27.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 213' ' ' GLU . 9.5 t -94.27 149.01 21.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -41.43 -31.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 211' ' ' LEU . 4.4 tt0 -67.92 -51.14 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.477 ' CG ' HD23 ' A' ' 205' ' ' LEU . 1.5 tp10 -66.39 -39.82 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 25.7 mtm -63.33 -42.99 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.596 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.7 ttp -68.92 -35.4 76.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -37.96 85.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.423 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -72.15 -37.52 69.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.57 -46.2 86.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.227 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.71 -29.98 53.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.593 1.183 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 6.2 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.7 mm -76.98 -15.75 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.5 -30.36 70.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.72 -7.95 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.5 HD12 ' CB ' ' A' ' 171' ' ' THR . 2.6 mp -94.56 96.98 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.464 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -126.68 162.57 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 195' ' ' ASN . 19.3 tt0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 55.0 t80 -66.39 -30.87 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -45.47 92.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.93 -35.16 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.464 ' CE1' ' C ' ' A' ' 154' ' ' ARG . 12.6 t80 -66.23 -43.08 87.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.32 -42.94 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.072 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -57.51 -43.73 84.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -42.8 98.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' ' 172' ' ' LEU . 48.0 t80 -59.34 -47.47 85.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.49 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -76.21 -19.01 58.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.28 -46.24 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.5 ' CB ' HD12 ' A' ' 153' ' ' ILE . 12.9 m -75.89 -39.12 57.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.65 -44.94 81.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.3 10.54 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.979 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 189' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.07 -33.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 189' ' ' LEU . 0.4 OUTLIER -69.97 -40.01 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' ASN . 1.8 mp -69.75 -46.78 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.431 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 1.4 tp -57.09 -44.35 83.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.388 1.055 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 39.8 t -66.76 -46.82 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -37.85 88.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 47.4 t-20 -92.25 17.11 10.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.39 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -101.59 178.36 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 155' ' ' GLN . 0.3 OUTLIER -61.25 169.66 2.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.04 -45.37 61.28 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 41.9 t -54.56 -36.06 63.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -47.13 82.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 66.5 m -62.39 -42.41 99.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.463 HG22 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.06 -34.61 69.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.468 ' CD2' ' HE1' ' A' ' 214' ' ' MET . 0.5 OUTLIER -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -66.6 -38.79 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.82 -24.5 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.486 ' CD1' ' HB1' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.05 -84.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.52 147.63 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 44.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.4 164.54 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 213' ' ' GLU . 14.6 t -88.46 147.93 24.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.491 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -34.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.389 1.056 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.02 -46.4 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.479 ' CG ' HD23 ' A' ' 205' ' ' LEU . 2.4 tp10 -67.16 -39.03 86.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.468 ' HE1' ' CD2' ' A' ' 202' ' ' LEU . 3.2 mtp -64.03 -41.23 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.582 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.8 ttt -71.58 -34.26 69.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -38.64 86.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.486 ' HB1' ' CD1' ' A' ' 205' ' ' LEU . . . -72.32 -41.83 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.447 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 8.8 t -59.31 -45.29 91.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.06 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.053 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.94 -29.71 53.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 221' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 6.3 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 7.3 mm -79.85 -17.41 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.54 -25.27 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -78.38 -10.4 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.626 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.1 mp -86.27 90.53 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 166.22 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.541 ' HB2' ' CD1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.179 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . 0.434 ' HG2' ' OD1' ' A' ' 163' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 9.7 t80 -71.32 -29.13 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -47.97 82.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -67.46 -32.83 73.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 155' ' ' GLN . 32.6 t80 -66.48 -46.49 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.46 HG23 ' CD2' ' A' ' 211' ' ' LEU . 3.2 t -62.79 -43.11 98.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 170' ' ' LYS . 13.4 m-20 -58.58 -40.63 83.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -68.03 -46.6 70.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 190' ' ' LEU . 54.0 t80 -57.92 -47.08 83.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -75.63 -21.83 57.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 166' ' ' ASP . 0.9 OUTLIER -72.24 -44.24 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.46 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.9 m -74.18 -38.93 63.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.94 -43.47 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -0.14 32.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 187' ' ' GLU . 2.7 pm0 -55.24 -30.22 59.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.4 OUTLIER -70.11 -37.19 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.4 mt -69.9 -46.29 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.464 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -57.14 -43.47 82.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.392 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 48.0 t -68.5 -48.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 188' ' ' THR . 0.1 OUTLIER -61.84 -38.42 88.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 34.1 t-20 -91.37 17.79 8.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -111.59 160.83 16.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.546 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 2.0 p-10 -42.11 163.44 0.13 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -49.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -49.62 -48.29 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.46 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 20.6 t -56.12 -35.64 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -56.69 -46.77 81.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 33.7 m -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.474 HG22 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.58 -34.96 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 191' ' ' VAL . 0.1 OUTLIER -69.86 -34.23 73.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -66.61 -39.95 88.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.8 -26.64 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -64.96 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.82 149.94 8.82 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.73 4.64 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.14 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.412 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.04 161.81 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 0.823 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 14.2 t -92.03 160.56 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 165' ' ' VAL . 0.4 OUTLIER -47.55 -39.98 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -37.46 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.482 ' CG ' HD21 ' A' ' 205' ' ' LEU . 0.1 OUTLIER -68.53 -46.79 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.63 1.206 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 22.0 mtt -63.82 -41.9 97.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.497 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.6 OUTLIER -67.76 -34.96 77.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 205' ' ' LEU . . . -71.44 -36.95 71.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 33.0 t -61.47 -46.22 90.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -28.96 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.41 -27.51 67.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.451 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.7 mm -81.89 -17.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.202 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.37 -31.83 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.73 -20.15 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.596 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -78.01 70.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 159.51 17.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.43 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.8 pt20 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.942 -0.445 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.3 t80 -69.62 -27.95 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.42 -32.56 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 4.0 t80 -67.8 -39.07 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.53 -46.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.77 -42.2 88.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -66.43 -42.52 87.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.501 ' N ' HG22 ' A' ' 153' ' ' ILE . 56.0 t80 -59.96 -47.19 86.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -74.28 -22.25 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -73.31 -44.53 58.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.372 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.451 ' CG2' HD13 ' A' ' 150' ' ' ILE . 52.7 m -74.0 -34.61 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.37 -40.07 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.45 63.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.48 -37.36 48.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 192' ' ' GLN . 0.7 OUTLIER -67.36 -32.85 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.19 -46.06 36.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.571 ' CD2' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -55.28 -44.49 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.92 -46.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.8 tp60 -57.77 -43.09 85.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 36.8 t30 -78.14 0.97 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -93.48 157.48 16.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.388 1.055 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -47.04 172.27 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.388 1.73 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.424 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.15 -52.99 30.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 33.9 t -53.36 -38.1 62.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.01 -43.41 86.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 93.1 m -64.74 -40.29 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 197' ' ' ASP . 1.0 OUTLIER -63.59 -43.76 98.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.22 -26.78 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -39.81 66.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.4 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.484 ' CD2' ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -81.77 -53.67 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 149.11 132.12 2.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.64 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 168.92 39.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.408 1.068 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.484 ' CB ' ' CD2' ' A' ' 205' ' ' LEU . . . -81.17 159.9 24.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 0.735 . . . . 0.0 109.284 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 214' ' ' MET . 8.9 t -89.91 -171.14 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.417 ' N ' ' OG1' ' A' ' 210' ' ' THR . 0.1 OUTLIER -64.89 -48.51 73.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.21 -44.34 95.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.472 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -68.91 -46.01 69.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.571 ' CE ' ' CD2' ' A' ' 190' ' ' LEU . 39.2 mtp -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.595 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.0 ttt -70.85 -33.28 70.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -39.9 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.41 69.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.413 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 6.8 t -62.33 -40.07 95.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.263 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -26.51 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.92 -27.85 61.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 171' ' ' THR . 4.7 mm -71.62 -18.24 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.54 -29.22 68.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.48 -14.43 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.228 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.622 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -84.52 106.35 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.496 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -144.37 153.46 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 2.1 pt20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.602 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 77.1 t80 -70.32 -31.96 69.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -60.77 -45.9 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.09 -35.09 79.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 6.9 t80 -66.07 -40.25 90.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 18.3 t -69.73 -40.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.02 94.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.46 ' N ' HG23 ' A' ' 153' ' ' ILE . 52.5 t80 -58.62 -46.74 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.499 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -75.44 -21.38 58.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -72.74 -43.93 62.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.463 ' CG2' HD12 ' A' ' 150' ' ' ILE . 86.5 m -73.74 -40.39 63.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.7 -44.68 86.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -71.41 -5.99 36.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 186' ' ' THR . 0.2 OUTLIER -47.84 -30.24 3.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.418 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.03 -34.44 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 186' ' ' THR . 1.0 OUTLIER -73.34 -46.27 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.458 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 0.5 OUTLIER -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 187' ' ' GLU . 85.1 t -68.56 -45.6 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -38.17 89.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 12.9 t-20 -88.27 9.84 21.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -93.92 158.1 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.649 1.218 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -50.52 176.62 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -75.05 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.4 OUTLIER -51.1 -54.9 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 21.8 t -54.93 -39.86 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -47.06 85.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.4 m -61.5 -41.21 96.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 205' ' ' LEU . 0.5 OUTLIER -63.96 -44.65 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.459 ' CD2' HG23 ' A' ' 191' ' ' VAL . 0.4 OUTLIER -68.53 -23.06 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.46 -52.21 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.14 -18.01 61.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.474 ' CD1' ' CG ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -80.66 -68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.357 179.904 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 160.94 133.1 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.19 4.15 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.12 38.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' A' ' 205' ' ' LEU . . . -81.02 159.8 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 213' ' ' GLU . 10.1 t -90.17 155.94 18.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 8.3 tt -41.3 -34.08 0.46 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -46.9 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.233 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.474 ' CG ' ' CD1' ' A' ' 205' ' ' LEU . 0.5 OUTLIER -70.11 -37.01 75.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 4.9 mtm -64.36 -47.16 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.602 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ptt? -70.01 -29.85 67.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 216' ' ' THR . . . . . 0.435 ' N ' ' HG3' ' A' ' 215' ' ' MET . 0.9 OUTLIER -67.12 -40.08 86.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.354 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.79 -42.76 66.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 6.9 t -59.88 -38.75 83.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -25.68 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.85 -25.46 64.63 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 197' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.573 HD13 ' CZ ' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.55 -13.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -19.24 65.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.567 ' HA ' HH21 ' A' ' 154' ' ' ARG . 4.8 t0 -89.74 -15.09 33.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.642 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.6 OUTLIER -68.63 116.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.225 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.568 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 19.1 ptp180 -148.29 163.03 38.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.517 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.9 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.972 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.6 t80 -65.96 -28.75 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -45.36 87.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.83 -37.71 86.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 154' ' ' ARG . 4.9 t80 -65.56 -42.69 91.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.93 -42.85 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -57.56 -42.15 82.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -44.45 90.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' A' ' 150' ' ' ILE . 50.8 t80 -58.55 -47.04 85.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -75.25 -20.94 58.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.53 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 150' ' ' ILE . 33.8 m -73.56 -40.05 64.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.5 -45.08 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.256 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -10.21 59.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.341 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.65 -44.22 66.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 110.234 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.0 mt -67.26 -46.63 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 1.1 tp -58.4 -43.68 88.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.454 HG21 ' CD2' ' A' ' 202' ' ' LEU . 62.0 t -65.73 -47.57 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.56 -39.1 93.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.9 t-20 -88.19 10.84 18.09 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -102.53 166.71 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.19 166.68 0.64 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -44.81 62.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.5 t -54.24 -36.94 64.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.62 -46.98 85.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 88.2 m -62.14 -41.13 97.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -40.88 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.454 ' CD2' HG21 ' A' ' 191' ' ' VAL . 6.3 mp -72.18 -22.31 61.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -44.37 46.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.19 45.53 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 206' ' ' GLY . 0.1 OUTLIER -74.57 -73.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . 0.466 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . -176.19 137.34 3.62 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 56.89 4.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 129.41 48.62 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.452 ' HB2' ' CG ' ' A' ' 213' ' ' GLU . . . -80.07 168.53 19.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 211' ' ' LEU . 0.6 OUTLIER -65.81 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 -179.927 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 210' ' ' THR . 1.2 tm? -58.7 -59.29 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.4 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 1.8 mp0 -49.17 -31.67 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 209' ' ' ALA . 0.6 OUTLIER -72.78 -45.62 57.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -45.78 89.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -30.85 67.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 216' ' ' THR . . . . . 0.445 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -66.05 -40.4 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.431 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -72.07 -44.0 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 5.6 t -59.35 -39.04 81.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.94 -26.23 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.01 -22.63 68.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 179.93 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -66.41 -14.24 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -21.19 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.35 -18.95 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.7 OUTLIER -67.5 108.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.6 168.64 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 60.0 mt-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.232 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 71.0 t80 -70.33 -32.89 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.79 -45.31 94.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.6 -35.76 80.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 9.8 t80 -65.36 -42.4 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.3 -44.25 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.361 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 170' ' ' LYS . 6.7 t70 -57.61 -41.89 82.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.471 ' CG ' HG13 ' A' ' 153' ' ' ILE . 1.5 tpp180 -64.68 -42.91 95.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 150' ' ' ILE . 49.1 t80 -58.39 -47.43 83.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -72.1 -44.12 63.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 150' ' ' ILE . 10.1 m -74.0 -37.82 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.03 -43.71 97.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -75.85 -2.04 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.99 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.495 HG21 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 191' ' ' VAL . 4.2 tm-20 -68.76 -36.51 78.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -41.46 75.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -69.31 -46.53 66.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.398 1.061 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.428 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 2.2 tp -57.1 -44.08 82.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 202' ' ' LEU . 81.7 t -66.85 -47.14 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.63 -38.23 90.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 17.9 t-20 -89.08 14.14 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -106.3 159.74 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -45.21 168.84 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.97 -45.68 64.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.7 t -54.69 -36.62 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.2 -45.13 88.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.9 m -63.82 -41.46 97.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.468 HG23 ' CB ' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.67 -43.48 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.18 -179.891 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -70.33 -26.48 63.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -42.15 76.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -81.65 -20.37 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' A' ' 213' ' ' GLU . 5.6 tp -59.12 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.86 145.32 4.96 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.395 1.06 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.27 4.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -79.97 161.87 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 4.7 t -79.3 -177.49 5.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.064 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -51.88 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.21 -35.07 48.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.472 ' CG ' HD22 ' A' ' 205' ' ' LEU . 1.1 tp10 -70.41 -45.51 65.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 15.5 mtm -62.29 -42.06 99.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.606 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.3 OUTLIER -70.37 -34.1 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -39.12 89.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.352 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 201' ' ' ILE . . . -72.17 -40.53 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 7.4 t -62.44 -45.81 91.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -25.08 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.83 -23.14 64.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.168 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.49 0.759 . . . . 0.0 109.382 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.465 ' OG ' ' CD2' ' A' ' 151' ' ' LEU . 5.1 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.575 HD13 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.45 -13.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.465 ' CD2' ' OG ' ' A' ' 149' ' ' SER . 2.1 pp -68.12 -19.2 64.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -89.15 -15.47 33.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.613 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.6 OUTLIER -67.94 92.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 1.5 ttt85 -111.48 155.42 23.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.383 1.052 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.6 t80 -66.69 -32.04 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -45.78 90.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.64 -35.41 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 34.6 t80 -66.86 -40.16 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.8 t -70.92 -41.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -57.98 -43.55 86.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -45.85 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' ' 150' ' ' ILE . 53.1 t80 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.475 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.5 m-85 -75.41 -21.49 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -68.62 -45.21 72.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 150' ' ' ILE . 34.4 m -75.09 -41.3 59.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.06 -50.12 74.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . 0.416 ' N ' HD11 ' A' ' 172' ' ' LEU . 2.8 mtt-85 -65.32 -16.36 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.556 0.217 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.475 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 2.8 tt0 -50.16 -32.16 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 0.0 110.231 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -30.99 68.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.9 mt -72.34 -46.49 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -59.59 -44.46 93.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 202' ' ' LEU . 42.3 t -67.86 -46.51 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.29 -38.18 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.229 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 189' ' ' LEU . 20.1 t-20 -86.22 7.46 25.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.181 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -93.53 155.62 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -48.36 175.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -75.07 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -51.19 57.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.77 -37.32 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -58.18 -47.33 83.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.7 m -62.53 -40.14 95.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -68.51 -32.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.477 ' CD2' HG23 ' A' ' 191' ' ' VAL . 1.7 mt -72.09 -31.91 66.52 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.464 1.103 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -72.75 -44.22 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.67 -19.19 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.474 ' CD1' ' CG ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -73.52 -76.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . 0.438 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . -178.64 138.0 3.46 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.02 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.2 43.73 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' A' ' 205' ' ' LEU . . . -80.61 166.9 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 210' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -75.65 175.13 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 210' ' ' THR . 2.7 tm? -59.21 -58.3 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -46.72 -31.21 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.474 ' CG ' ' CD1' ' A' ' 205' ' ' LEU . 0.9 OUTLIER -75.02 -44.76 46.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.475 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 43.6 mtm -62.71 -40.55 97.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 4.3 ttp -73.33 -34.47 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.198 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -39.61 94.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 201' ' ' ILE . . . -72.45 -46.34 55.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 6.3 t -56.38 -41.26 75.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.615 1.197 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -24.79 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.0 59.49 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' HD22 ' A' ' 151' ' ' LEU . 6.4 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 171' ' ' THR . 9.9 mm -85.21 -22.03 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 149' ' ' SER . 0.9 OUTLIER -65.47 -30.19 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -70.23 -17.36 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.608 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -83.4 105.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.473 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -137.37 164.72 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.582 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.822 0 N-CA-C 110.887 -0.467 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 69.6 t80 -68.02 -33.4 74.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -45.56 94.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 8.3 t80 -65.12 -44.07 89.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.93 -42.62 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.64 -44.47 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -43.01 96.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.462 ' N ' HG21 ' A' ' 153' ' ' ILE . 50.9 t80 -58.62 -47.02 85.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.8 m-85 -75.52 -21.14 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.8 -44.15 61.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.469 ' CG2' HD13 ' A' ' 150' ' ' ILE . 76.0 m -73.86 -39.38 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -75.65 -11.13 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 -179.975 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -38.69 39.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -34.28 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.5 mp -72.01 -46.44 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.447 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 1.1 tp -57.73 -43.56 85.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.71 -47.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -38.13 89.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 35.6 t-20 -86.83 10.03 17.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.412 ' HB1' ' NE2' ' A' ' 155' ' ' GLN . . . -98.21 155.05 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.2 OUTLIER -46.32 171.96 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.41 -47.57 62.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 22.6 t -55.12 -37.35 66.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.35 -46.64 85.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.8 m -62.4 -41.09 98.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.53 -41.97 93.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.05 -24.55 63.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.198 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 203' ' ' LYS . 5.4 mtpm? -74.34 -51.51 14.93 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.2 -19.01 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.472 HD11 ' CG ' ' A' ' 213' ' ' GLU . 0.2 OUTLIER -77.54 -78.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . 0.434 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . -167.89 131.8 2.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.107 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.22 4.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.35 43.83 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 213' ' ' GLU . . . -80.6 168.21 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.9 t -69.96 179.02 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -54.81 28.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -33.56 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.475 ' CG ' ' HB1' ' A' ' 209' ' ' ALA . 1.1 tt0 -69.25 -45.84 68.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.09 93.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.588 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.2 OUTLIER -72.73 -32.36 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -40.54 88.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -71.84 -43.6 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 5.7 t -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.269 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -24.71 67.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.616 1.198 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.0 -26.35 58.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.464 ' CB ' HD22 ' A' ' 151' ' ' LEU . 9.0 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' A' ' 171' ' ' THR . 3.0 mm -84.82 -21.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.062 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 149' ' ' SER . 0.7 OUTLIER -62.74 -35.18 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.89 -22.47 67.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.605 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -81.21 96.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 33.7 ptt180 -125.63 167.57 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.59 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.9 tt0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 40.1 t80 -66.79 -34.56 78.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -60.75 -46.01 92.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -33.38 74.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.59 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.3 t80 -67.63 -42.04 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.93 -42.92 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.63 -44.63 85.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -44.43 93.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.429 ' N ' HG23 ' A' ' 153' ' ' ILE . 48.4 t80 -58.4 -47.09 85.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -75.15 -20.81 59.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -72.34 -45.25 60.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.485 HG21 ' CD1' ' A' ' 150' ' ' ILE . 23.7 m -74.3 -37.99 63.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.06 -44.35 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -85.83 5.83 30.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 179.912 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.62 -37.1 77.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -32.11 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.9 OUTLIER -72.34 -46.95 53.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.431 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 1.8 tp -58.43 -44.36 89.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.515 ' CG2' ' CD2' ' A' ' 202' ' ' LEU . 49.2 t -68.26 -45.79 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.13 -37.92 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 0.1 OUTLIER -85.28 3.17 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -97.06 159.75 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.9 OUTLIER -42.73 165.01 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.608 1.846 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.79 -44.96 63.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 201' ' ' ILE . 23.7 t -53.53 -35.4 60.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -43.95 76.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.2 m -69.44 -34.43 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 198' ' ' CYS . 44.9 mt -63.16 -41.79 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.211 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.515 ' CD2' ' CG2' ' A' ' 191' ' ' VAL . 5.7 mp -72.26 -34.22 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.16 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.236 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -85.79 -22.0 27.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 206' ' ' GLY . 0.0 OUTLIER -81.02 -69.18 0.62 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . 0.496 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . -178.97 129.09 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.16 4.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.82 43.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 213' ' ' GLU . . . -80.93 171.38 15.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 0.702 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 10.9 t -74.92 156.5 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.33 -43.31 10.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.81 -44.8 86.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.23 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.489 ' CG ' HD13 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -66.03 -42.25 89.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.2 mmm -61.76 -39.92 93.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.595 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.9 OUTLIER -71.05 -34.16 70.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -39.39 92.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.456 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -72.06 -43.05 65.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . 0.521 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 6.9 t -59.67 -44.94 93.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 108.359 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -25.28 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.82 -23.89 65.87 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.449 1.093 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.355 0.679 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.421 ' O ' ' HB ' ' A' ' 153' ' ' ILE . 3.6 mm -74.72 -19.87 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.2 -36.54 83.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' ILE . . . . . 0.601 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -79.01 66.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -107.27 167.17 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.2 t80 -69.43 -34.51 74.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -45.86 92.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.34 -32.96 74.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 3.5 t80 -68.43 -44.58 74.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.34 -46.06 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.95 -43.36 91.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.481 ' CG ' HG13 ' A' ' 153' ' ' ILE . 3.6 tpt180 -65.15 -43.43 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.495 ' N ' HG23 ' A' ' 153' ' ' ILE . 48.4 t80 -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' TYR . . . . . 0.482 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.6 m-85 -74.85 -21.37 59.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -72.97 -44.65 60.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.4 ' OG1' HD13 ' A' ' 153' ' ' ILE . 54.3 m -74.24 -37.68 63.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.484 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.0 -49.17 76.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . 0.403 ' N ' HD12 ' A' ' 172' ' ' LEU . 5.9 mtp180 -70.01 -6.05 30.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.993 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.461 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -68.84 -38.37 79.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.03 77.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.452 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -67.62 -45.83 74.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -41.84 64.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.467 ' CG1' HD11 ' A' ' 202' ' ' LEU . 24.4 t -73.51 -51.81 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.83 76.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 189' ' ' LEU . 5.6 t-20 -86.55 11.99 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -105.72 162.63 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -48.25 170.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.59 -52.21 41.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.4 t -54.04 -38.09 64.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -58.25 -43.97 88.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.39 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 73.6 m -65.23 -41.49 94.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 197' ' ' ASP . 0.5 OUTLIER -64.19 -37.31 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.366 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.467 HD11 ' CG1' ' A' ' 191' ' ' VAL . 5.6 mt -72.06 -31.82 66.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -68.1 -38.4 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.61 -29.24 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 205' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.2 OUTLIER -61.76 -85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.95 155.24 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.58 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.02 52.67 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.44 163.03 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.97 150.44 48.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -43.81 62.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -62.76 -34.29 76.93 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -45.52 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 54.9 mtm -61.85 -42.01 98.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 215' ' ' MET . . . . . 0.589 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.8 ttp -68.26 -34.24 75.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -38.09 84.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 217' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 205' ' ' LEU . . . -72.02 -37.86 69.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 12.5 t -62.92 -44.37 96.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -26.17 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.25 -26.89 62.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.8 t -89.95 175.0 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.061 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 171' ' ' THR . 3.0 mm -78.12 -18.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.28 -34.83 79.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -19.67 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.602 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -83.3 98.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.84 170.97 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.583 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 3.3 mt-30 -81.52 93.5 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.83 161.87 17.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -63.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.523 1.802 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -77.21 -17.68 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.48 133.31 50.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.24 16.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.0 t80 -70.54 -26.99 63.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -46.6 79.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.42 -34.89 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.583 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 12.0 t80 -66.46 -43.17 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.76 -43.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.55 -43.88 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CD ' HG13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -63.54 -44.19 94.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' ' 153' ' ' ILE . 50.3 t80 -58.29 -47.07 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -74.62 -20.86 59.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -71.6 -45.26 62.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.471 ' CG2' HD12 ' A' ' 150' ' ' ILE . 32.7 m -74.55 -38.17 62.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.5 -45.0 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.7 6.09 25.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -96.12 -18.1 20.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 177' ' ' ALA . 17.0 tt0 -160.63 35.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.1 OUTLIER -38.0 97.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.99 157.14 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.211 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.1 t -178.26 155.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.078 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.14 -13.33 26.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.91 66.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.238 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.8 -41.17 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.344 1.028 . . . . 0.0 109.275 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -57.61 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -62.73 -29.31 70.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -135.0 99.71 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 6.5 p -39.96 -58.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -49.02 -37.71 21.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.466 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -67.71 -34.86 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.422 ' N ' HG21 ' A' ' 188' ' ' THR . 4.2 mt -69.95 -46.41 65.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.406 HD13 ' CE2' ' A' ' 164' ' ' TYR . 1.1 tp -58.0 -45.05 87.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.458 ' CG1' HD11 ' A' ' 202' ' ' LEU . 89.7 t -65.91 -46.4 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -65.03 -37.51 87.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 16.6 t-20 -88.01 6.29 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -97.51 157.97 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -47.44 174.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.384 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.97 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.23 -54.89 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.7 t -54.46 -37.83 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.655 1.222 . . . . 0.0 108.32 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.71 -44.24 90.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 79.4 m -65.0 -41.65 95.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.352 1.032 . . . . 0.0 110.437 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -38.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.458 HD11 ' CG1' ' A' ' 191' ' ' VAL . 5.9 mt -72.04 -33.18 67.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -66.98 -35.66 80.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -32.75 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.533 ' CD2' ' CB ' ' A' ' 209' ' ' ALA . 0.2 OUTLIER -53.94 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.3 160.3 22.22 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.383 1.052 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 56.69 4.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.75 54.66 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.533 ' CB ' ' CD2' ' A' ' 205' ' ' LEU . . . -79.59 160.24 26.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -79.96 155.04 27.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.403 ' N ' HG23 ' A' ' 210' ' ' THR . 0.0 OUTLIER -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 215' ' ' MET . 19.7 mt-10 -61.5 -35.07 76.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.424 1.078 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.474 ' CG ' HD23 ' A' ' 205' ' ' LEU . 5.2 tp10 -73.63 -38.21 65.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.406 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 68.0 mtm -65.45 -48.16 73.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.609 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -31.12 68.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 215' ' ' MET . 1.2 m -67.43 -39.12 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 201' ' ' ILE . . . -72.23 -41.09 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 7.6 t -61.71 -45.35 94.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -27.13 68.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.21 -25.41 68.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -47.54 140.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 223' ' ' GLY . . . 69.78 166.68 5.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.081 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 222' ' ' GLY . . . -37.2 97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -172.45 119.39 0.77 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -164.22 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.574 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.03 134.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.54 112.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 179.61 169.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 72.5 t -122.36 148.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.418 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.537 0.208 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.7 t -117.94 110.8 18.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 5.0 mm -88.58 -20.69 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -30.72 71.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.97 -19.78 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.604 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -81.59 106.84 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.527 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 14.0 ttt-85 -148.3 151.58 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.558 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.2 pt20 -83.73 89.2 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -57.68 176.97 1.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -21.67 47.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -85.58 131.62 47.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.84 21.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 68.8 t80 -70.35 -30.44 67.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.67 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.96 -33.34 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 7.0 t80 -68.06 -41.42 82.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.3 t -67.49 -43.73 87.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.8 -44.61 86.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.07 -43.98 93.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.472 ' N ' HG21 ' A' ' 153' ' ' ILE . 56.4 t80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.337 1.023 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -74.5 -21.84 59.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -73.14 -44.59 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 150' ' ' ILE . 87.8 m -73.98 -35.27 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.07 -44.77 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -26.31 60.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.55 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.7 tp10 -151.27 44.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 175' ' ' GLU . 4.9 tp-100 -37.56 156.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 176' ' ' GLN . . . -40.08 158.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 173.0 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -62.76 -38.06 89.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -108.38 24.57 12.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.56 -43.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -33.69 60.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -57.39 -32.09 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -91.98 118.94 31.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.063 . . . . 0.0 109.369 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.49 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -67.01 122.74 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.7 m -44.0 -60.71 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.9 60.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.49 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -64.07 -30.11 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.8 mt -70.73 -46.89 62.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -59.06 -43.36 91.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.433 HG21 ' CD2' ' A' ' 202' ' ' LEU . 88.0 t -67.82 -46.85 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.85 -37.95 89.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 27.8 t-20 -87.75 6.59 34.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -98.7 156.12 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -50.75 174.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.95 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.576 1.829 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 201' ' ' ILE . 2.2 m-20 -50.9 -54.53 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.1 t -54.3 -37.89 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -46.18 89.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.0 m -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -38.31 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.433 ' CD2' HG21 ' A' ' 191' ' ' VAL . 4.7 mp -71.88 -32.13 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -68.37 -36.88 79.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.43 -28.21 41.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -63.97 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.88 156.18 15.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 142.78 53.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.442 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -79.52 161.22 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.77 149.98 48.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 110.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.45 -45.23 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.68 -34.49 78.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -68.08 -42.88 79.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.5 mtp -63.25 -43.56 97.65 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.367 1.042 . . . . 0.0 111.021 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.619 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ttm -68.79 -33.39 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.09 85.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 201' ' ' ILE . . . -71.98 -37.66 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.063 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.407 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 5.8 t -66.84 -43.63 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 108.357 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -61.81 -26.9 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.59 -23.06 71.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.1 p -46.7 139.91 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 59.42 165.81 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 160.11 -57.08 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 226' ' ' HIS . 17.9 Cg_endo -74.98 167.96 25.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -46.92 93.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 224' ' ' PRO . 2.4 t60 -173.68 124.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 0.804 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.33 159.48 28.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.62 133.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 179.62 161.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.9 p -96.25 142.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.327 -0.401 0 O-C-N 124.446 1.091 . . . . 0.0 109.193 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 5.3 t -101.53 72.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 171' ' ' THR . 7.6 mm -79.59 -18.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.9 -30.12 70.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.17 -12.67 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.624 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -89.12 96.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 169.28 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.563 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -79.35 92.25 5.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.238 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -54.95 170.2 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.03 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -17.76 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.53 129.53 87.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.32 16.57 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 46.8 t80 -68.33 -33.82 74.99 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -59.73 -45.8 91.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.58 -37.03 84.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 11.7 t80 -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.0 -43.14 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -57.65 -42.18 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.43 ' CB ' HG23 ' A' ' 153' ' ' ILE . 46.7 t80 -58.44 -47.55 83.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.484 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.6 m-85 -76.12 -20.97 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -72.71 -44.62 61.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.477 HG23 ' CD1' ' A' ' 150' ' ' ILE . 68.1 m -74.43 -38.19 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.536 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.54 -50.27 73.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -68.98 -7.97 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 175' ' ' GLU . . . -78.75 -14.5 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 0.2 OUTLIER 174.33 53.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -37.85 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.47 152.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.3 m -169.44 154.34 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -72.23 -12.88 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 184' ' ' ALA . 25.6 mt-10 -139.16 53.6 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 92.7 t -65.29 -47.11 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -80.98 -34.09 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -82.47 4.45 24.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 180' ' ' GLU . . . -159.59 109.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -81.9 147.14 29.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 66.0 p -42.99 -67.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 188' ' ' THR . 4.2 pm0 -47.49 -30.3 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.414 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.4 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 184' ' ' ALA . 1.4 mp -68.61 -46.51 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.4 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 0.6 OUTLIER -57.73 -44.66 86.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.463 ' CG1' HD12 ' A' ' 202' ' ' LEU . 44.5 t -65.69 -45.94 90.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 15.7 t-20 -87.73 4.72 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -93.46 157.63 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -48.22 175.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.15 -54.57 24.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.5 t -55.44 -37.05 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.355 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.4 -46.46 86.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 65.7 m -63.11 -43.06 99.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -63.82 -37.8 80.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.463 HD12 ' CG1' ' A' ' 191' ' ' VAL . 7.6 mt -72.1 -32.75 67.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -66.1 -36.59 83.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.63 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 217' ' ' ALA . 1.5 mp -46.76 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.06 157.82 18.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.97 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.78 47.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.413 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.17 157.81 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 2.3 t -83.45 163.01 20.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 211' ' ' LEU . 1.9 tm? -53.63 -50.31 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -34.62 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -70.71 -42.68 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 26.1 mtp -64.37 -43.43 94.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 10.1 ttt -69.17 -35.37 76.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -38.54 86.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.457 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.487 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -72.45 -36.74 68.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.412 ' O ' ' CG1' ' A' ' 221' ' ' VAL . 6.6 t -67.93 -37.85 82.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -29.78 70.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -72.69 -26.24 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 218' ' ' CYS . 1.1 p -48.46 149.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.99 -166.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 101.58 -101.5 2.22 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -148.21 176.54 26.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.67 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 228' ' ' ALA . 2.4 tttm -123.18 116.93 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 227' ' ' LYS . . . -40.6 159.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -45.08 169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 110.251 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 14.3 p -80.26 141.16 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.0 t -101.43 172.58 6.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 8.4 mm -77.2 -18.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.23 -32.99 74.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -68.47 -15.54 63.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.614 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -85.96 97.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.47 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.0 ptt180 -125.14 170.02 11.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.593 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tt0 -111.18 105.51 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.207 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.77 175.15 52.18 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -17.41 56.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -75.4 133.69 74.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.405 1.066 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 154.82 42.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 34.7 t80 -69.48 -30.01 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.0 -45.78 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.2 t80 -66.29 -43.02 87.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.601 1.188 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.79 -42.48 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -57.95 -42.99 86.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -44.72 85.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 172' ' ' LEU . 41.3 t80 -58.31 -47.99 81.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.467 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.5 m-85 -75.6 -20.58 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -72.66 -44.8 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.436 ' OG1' HD11 ' A' ' 153' ' ' ILE . 95.4 m -74.78 -37.75 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.51 -45.15 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.78 4.8 20.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -96.8 -15.56 21.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.3 OUTLIER -177.21 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 48.9 tt0 -37.12 101.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 179.99 145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.464 ' CB ' ' CG2' ' A' ' 181' ' ' VAL . 3.0 t -165.59 167.56 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -15.03 17.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -177.87 72.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.464 ' CG2' ' CB ' ' A' ' 178' ' ' SER . 36.7 t -67.31 -42.39 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -58.14 -57.6 12.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.52 -31.6 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.379 1.049 . . . . 0.0 109.247 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.05 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -123.8 126.35 46.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -45.79 12.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 191' ' ' VAL . 18.4 pm0 -67.03 -28.63 68.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.483 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -71.21 -41.36 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.4 OUTLIER -73.47 -45.79 52.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.415 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 0.7 OUTLIER -61.13 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 187' ' ' GLU . 46.5 t -69.74 -46.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . 0.456 ' HA ' ' HZ1' ' A' ' 199' ' ' LYS . 0.9 OUTLIER -64.45 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' LEU . 12.0 t-20 -91.25 15.3 12.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -97.82 164.72 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.436 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -52.7 174.6 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.02 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.85 -54.25 25.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.8 t -54.45 -37.74 65.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 108.394 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . 0.456 ' HZ1' ' HA ' ' A' ' 192' ' ' GLN . 0.0 OUTLIER -58.59 -46.59 86.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.5 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.447 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.407 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.01 -35.36 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 191' ' ' VAL . 0.0 OUTLIER -69.6 -34.3 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -39.12 84.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.11 45.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -65.6 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.21 149.74 7.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 57.32 4.5 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.97 44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.082 . . . . 0.0 111.054 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.434 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.39 162.8 24.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 9.3 t -88.83 161.59 16.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -33.67 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -39.88 94.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.428 ' CG ' ' CD2' ' A' ' 205' ' ' LEU . 1.7 tp10 -75.35 -37.14 60.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.13 -46.21 78.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -72.25 -32.58 66.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.319 1.012 . . . . 0.0 110.985 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' THR . . . . . 0.444 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -67.26 -38.96 85.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 205' ' ' LEU . . . -72.32 -42.37 65.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 9.1 t -58.49 -41.73 85.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.82 -25.37 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.38 1.05 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.56 -29.88 57.24 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -47.86 136.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 63.46 166.02 0.77 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 109.52 -85.52 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 69.74 5.53 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 112.83 66.19 0.49 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -40.8 111.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 0.772 . . . . 0.0 109.547 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -132.83 103.0 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 229' ' ' ARG . . . 179.61 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -39.17 109.33 0.1 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 231' ' ' LEU . 14.2 p -47.07 148.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . 0.406 ' N ' HG22 ' A' ' 230' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.2 t -95.61 176.99 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.053 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 171' ' ' THR . 4.1 mm -82.41 -18.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.672 1.232 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.04 -36.73 84.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.47 -21.53 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.3 mp -81.54 99.73 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.406 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 2.1 ptt180 -129.34 167.82 17.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.579 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.8 tt0 -113.33 100.03 8.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -68.55 179.42 21.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -64.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -19.23 59.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.404 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 30.0 tt0 -64.03 137.47 97.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.405 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 18.1 Cg_endo -75.05 142.09 27.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' A' ' 218' ' ' CYS . 18.5 t80 -66.76 -23.44 66.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.92 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -65.71 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 16.5 t80 -66.39 -43.17 86.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.39 -43.15 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 170' ' ' LYS . 1.2 m-20 -59.37 -42.09 90.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -67.86 -44.89 76.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.435 ' CE1' HG22 ' A' ' 186' ' ' THR . 43.5 t80 -58.68 -47.61 83.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.484 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -76.22 -21.1 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 166' ' ' ASP . 18.1 mtpt -71.99 -44.59 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 150' ' ' ILE . 27.6 m -74.93 -39.01 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.38 -50.25 73.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -66.34 -9.74 36.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -84.97 -7.21 59.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.0 OUTLIER -177.49 48.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 2.7 pt20 -37.5 114.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.236 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.48 142.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.479 ' CB ' HG23 ' A' ' 181' ' ' VAL . 0.1 OUTLIER -173.56 150.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.902 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.54 -12.73 61.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 184' ' ' ALA . 2.4 mt-10 -130.66 48.89 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.201 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.479 HG23 ' CB ' ' A' ' 178' ' ' SER . 14.5 t -75.15 -38.63 42.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -41.61 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.378 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.73 -12.64 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . 73.37 110.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.381 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.49 ' CA ' HG22 ' A' ' 188' ' ' THR . . . -106.56 20.95 18.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.435 HG22 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 110.408 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -43.17 27.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.49 HG22 ' CA ' ' A' ' 185' ' ' ALA . 8.6 t -65.76 -36.77 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.8 OUTLIER -72.9 -46.94 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.76 -43.5 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.476 ' CG2' HD12 ' A' ' 202' ' ' LEU . 39.6 t -68.65 -47.14 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.3 -38.23 90.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 189' ' ' LEU . 19.0 t-20 -88.16 11.51 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.415 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -101.6 156.63 17.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.2 OUTLIER -48.41 175.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.239 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.96 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -51.06 -55.16 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.91 -38.04 67.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.03 -45.26 91.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 95.3 m -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.411 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.77 -37.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.476 HD12 ' CG2' ' A' ' 191' ' ' VAL . 10.4 mt -69.41 -34.84 75.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -36.3 79.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.41 -25.79 46.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.473 HD22 ' CB ' ' A' ' 209' ' ' ALA . 0.3 OUTLIER -58.24 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.31 154.7 11.98 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 56.66 4.37 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.525 1.803 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.42 45.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.473 ' CB ' HD22 ' A' ' 205' ' ' LEU . . . -80.42 159.22 25.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 12.3 t -93.2 160.01 15.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.22 -37.29 54.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.57 -46.73 89.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.451 ' CG ' ' CD2' ' A' ' 205' ' ' LEU . 2.1 tp10 -63.92 -36.63 84.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 4.4 mtt -63.05 -43.63 98.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.69 -35.39 77.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -37.5 85.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.436 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -72.16 -38.53 69.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 10.7 t -63.87 -41.26 97.8 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.504 1.127 . . . . 0.0 108.363 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -28.38 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.75 -27.74 64.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.16 123.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.561 0.801 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 71.64 166.09 7.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 103.22 -142.31 15.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.92 11.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 99.99 -83.73 0.57 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.451 1.095 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.32 101.22 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 0.73 . . . . 0.0 109.632 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 228' ' ' ALA . 54.2 tttt -141.24 -62.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.17 113.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.7 148.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.25 135.85 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 33.2 t -98.11 -174.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.479 ' CD1' HG23 ' A' ' 171' ' ' THR . 7.5 mm -79.6 -26.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' ' 149' ' ' SER . 0.7 OUTLIER -60.46 -32.45 71.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -19.4 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.404 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.605 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -84.82 99.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.529 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -125.52 168.59 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.594 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 -103.81 102.41 12.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -73.49 167.54 54.29 Favored Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.515 1.134 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -55.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.427 1.751 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -75.01 -21.47 59.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.122 . . . . 0.0 109.359 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.6 135.8 60.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.06 156.44 42.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.571 1.827 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 58.6 t80 -67.78 -30.52 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -61.45 -45.78 92.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.231 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -33.49 75.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.594 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 11.0 t80 -67.64 -41.16 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.56 -43.03 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.47 -45.88 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -43.79 98.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' A' ' 186' ' ' THR . 48.3 t80 -58.52 -47.19 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.485 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -74.76 -20.13 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -71.71 -45.32 62.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.479 HG23 ' CD1' ' A' ' 150' ' ' ILE . 76.4 m -75.41 -39.36 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.53 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -48.18 79.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.209 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -11.63 26.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.457 ' O ' ' CG ' ' A' ' 175' ' ' GLU . . . -71.5 -16.56 62.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 0.2 OUTLIER 170.4 54.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -38.61 128.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 179.92 139.74 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.49 ' O ' ' CG2' ' A' ' 181' ' ' VAL . 8.7 t -178.61 156.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -72.42 -12.28 61.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.2 OUTLIER -118.34 43.1 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 178' ' ' SER . 67.5 t -74.77 -37.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -53.11 -44.85 67.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.214 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -99.17 -9.44 23.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . 71.81 106.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.385 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 180' ' ' GLU . . . -95.09 21.05 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 2.6 p -70.86 -39.48 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 188' ' ' THR . 15.6 pm0 -75.84 -32.61 59.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.6 OUTLIER -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.34 -46.95 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.502 HD11 ' CG ' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -57.3 -44.28 83.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.232 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.465 ' CG1' ' HG ' ' A' ' 202' ' ' LEU . 36.6 t -70.16 -47.62 66.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -60.23 -38.09 82.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 43.3 t-20 -89.76 15.53 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -91.65 165.58 13.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.409 1.068 . . . . 0.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.481 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -54.13 176.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.99 -52.83 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.3 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.02 -36.86 65.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -57.62 -45.8 84.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.3 m -63.4 -42.15 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.439 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.88 -37.09 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.465 ' HG ' ' CG1' ' A' ' 191' ' ' VAL . 0.3 OUTLIER -72.39 -34.36 67.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -37.8 88.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -80.08 -28.38 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.526 ' CD2' ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -66.68 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 170.62 155.01 9.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 57.63 4.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.63 54.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.526 ' CB ' ' CD2' ' A' ' 205' ' ' LEU . . . -79.97 160.01 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.87 155.96 40.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -50.37 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -35.44 77.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.23 -44.88 74.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.213 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 19.3 mtm -63.11 -41.46 99.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.589 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.25 -33.37 71.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -39.3 85.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 205' ' ' LEU . . . -72.21 -39.03 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.441 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 6.7 t -64.41 -45.43 87.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.54 71.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 197' ' ' ASP . 1.0 OUTLIER -47.93 117.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 60.91 165.78 0.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -172.22 -83.25 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.34 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 131.39 60.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -98.94 77.25 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.98 64.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.403 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.74 136.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.408 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.65 153.25 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.09 146.83 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.6 0.238 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.6 t -101.55 177.67 4.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.345 1.028 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' A' ' 171' ' ' THR . 5.1 mm -79.13 -19.32 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.89 -37.82 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.98 -21.21 65.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.225 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.586 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.3 mp -82.79 92.56 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.08 169.97 14.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.69 92.67 4.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.118 . . . . 0.0 110.22 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -57.77 166.59 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -17.92 60.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -76.53 131.83 73.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 170.85 19.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 56.2 t80 -70.34 -27.17 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -66.59 -46.58 75.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.57 -40.27 92.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.434 ' CE2' HD13 ' A' ' 190' ' ' LEU . 5.1 t80 -62.8 -43.18 99.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.89 -41.85 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -42.81 83.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.24 -42.87 96.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.429 ' N ' HG22 ' A' ' 153' ' ' ILE . 52.9 t80 -58.2 -47.62 82.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.46 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -74.45 -21.52 59.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.92 -44.63 61.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.451 HG21 ' CD1' ' A' ' 150' ' ' ILE . 45.4 m -74.62 -35.85 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.579 1.175 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.98 -45.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -62.86 -13.9 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -131.16 29.06 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.364 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.42 60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.234 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.55 89.64 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.586 1.179 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -179.87 79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.37 170.34 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -70.27 -26.03 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.381 1.051 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -97.18 24.43 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 96.8 t -113.74 -40.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -55.54 -32.94 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.619 1.199 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.86 -31.93 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.05 90.85 5.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.475 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -50.43 101.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 185' ' ' ALA . 29.9 m -38.8 -57.73 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -51.55 -40.14 59.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.203 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -65.11 -29.8 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.418 ' N ' HG21 ' A' ' 188' ' ' THR . 4.7 mt -70.39 -47.36 61.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.434 HD13 ' CE2' ' A' ' 164' ' ' TYR . 1.2 tp -58.7 -43.52 90.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.584 1.178 . . . . 0.0 109.34 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 202' ' ' LEU . 55.1 t -67.53 -46.81 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.89 -40.3 96.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.72 7.97 18.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -100.81 159.56 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.3 OUTLIER -46.34 171.41 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 3.7 m-20 -52.58 -49.49 64.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.5 t -54.0 -37.05 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -58.1 -43.92 87.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.412 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.5 m -65.65 -41.57 92.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.436 HG22 ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.95 -38.93 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 191' ' ' VAL . 4.3 mt -69.37 -33.73 73.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.48 -34.93 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.08 -28.75 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.5 OUTLIER -58.73 -87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.27 152.43 9.95 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.591 1.182 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 56.93 4.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.408 1.741 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.56 44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.24 161.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 15.0 t -89.98 152.67 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 8.5 tt -45.81 -36.66 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -44.36 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.456 ' CG ' HD21 ' A' ' 205' ' ' LEU . 0.6 OUTLIER -67.68 -42.11 82.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.452 ' CE ' HD22 ' A' ' 202' ' ' LEU . 2.7 mtt -63.14 -42.14 99.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.596 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.4 ttt -69.31 -35.11 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -37.75 83.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 205' ' ' LEU . . . -72.51 -37.92 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 9.5 t -63.54 -41.97 98.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 108.333 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -24.52 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.45 -32.98 45.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.422 1.076 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -47.17 148.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 109.235 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.71 -165.74 0.18 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -169.03 156.87 28.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.9 32.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.808 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -58.41 -58.96 11.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -46.13 142.68 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 0.74 . . . . 0.0 109.574 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -169.38 111.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.21 -63.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 179.71 148.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 76.0 t -116.93 139.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.04 165.88 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 171' ' ' THR . 7.8 mm -77.96 -16.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -67.0 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.01 -15.42 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.612 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -84.23 90.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.455 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.1 ptt85 -117.58 163.64 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.588 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 -105.59 100.15 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -72.35 175.3 43.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -75.22 -20.74 59.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -75.2 129.77 81.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 157.74 42.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.593 ' CD1' ' SG ' ' A' ' 218' ' ' CYS . 20.2 t80 -67.4 -28.79 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -65.12 -46.79 79.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.6 -34.43 76.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.588 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 17.7 t80 -65.76 -42.03 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 8.6 t -68.86 -41.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.91 -41.49 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -44.76 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.426 ' N ' HG21 ' A' ' 153' ' ' ILE . 48.2 t80 -58.82 -47.26 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.19 -21.33 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -72.57 -44.56 61.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.474 HG22 ' CD1' ' A' ' 150' ' ' ILE . 54.4 m -73.67 -38.59 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 176' ' ' GLN . 0.1 OUTLIER -57.82 -45.21 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.61 1.22 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -87.46 -21.39 25.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER -172.82 39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 172' ' ' LEU . 6.9 pt20 -38.07 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.396 1.06 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.95 124.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.02 143.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -15.19 17.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 184' ' ' ALA . 19.2 pt-20 -108.67 31.16 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 3.2 t -85.53 -66.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -45.03 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -57.48 -29.41 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 180' ' ' GLU . . . -108.29 157.34 18.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 188' ' ' THR . . . -102.75 124.57 48.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.402 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -45.22 11.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.407 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.403 ' CD ' ' SD ' ' A' ' 214' ' ' MET . 1.8 tp10 -64.31 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -70.46 -39.73 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.445 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.25 -46.3 67.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.437 HD23 ' CZ ' ' A' ' 161' ' ' PHE . 1.5 tp -56.89 -46.5 81.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 202' ' ' LEU . 63.1 t -66.09 -45.13 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.53 -37.22 86.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 29.8 t-20 -90.28 6.01 44.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -94.54 156.29 16.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.72 169.73 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.1 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 201' ' ' ILE . 5.0 m-20 -51.13 -49.23 61.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.6 t -54.24 -37.21 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 108.247 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.8 m -64.36 -40.92 96.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 197' ' ' ASP . 0.5 OUTLIER -65.11 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 191' ' ' VAL . 8.1 mt -72.39 -27.8 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -70.21 -44.82 67.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.57 -36.7 60.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -56.82 -72.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . 0.445 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . 177.41 141.74 4.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.29 4.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.756 . . . . 0.0 111.021 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 130.34 46.25 0.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -75.73 167.65 21.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 211' ' ' LEU . 0.7 OUTLIER -68.63 174.34 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.403 ' N ' HG22 ' A' ' 210' ' ' THR . 2.7 mm? -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.54 -33.93 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 205' ' ' LEU . 0.8 OUTLIER -71.92 -42.88 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 187' ' ' GLU . 2.3 mmt -63.73 -42.19 97.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.535 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 19.4 mtp -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -40.55 94.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -72.45 -46.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.593 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 4.4 t -57.58 -36.16 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -25.81 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.73 -24.51 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.2 p -45.53 127.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.215 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 66.78 165.67 2.24 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 101.65 -101.51 2.22 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 85.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.537 1.809 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 154.86 -136.5 5.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -135.99 173.69 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.521 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.93 153.35 5.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.74 96.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.611 1.195 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.72 96.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 11.6 p -78.47 138.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.19 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.8 t -94.38 178.01 5.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.433 ' O ' ' HB ' ' A' ' 153' ' ' ILE . 8.1 mm -73.67 -20.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -38.54 90.86 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.88 -24.77 66.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.619 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.1 mp -77.09 103.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 166.99 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.231 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.469 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 1.6 mt-30 -79.58 85.84 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -55.94 172.41 1.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -16.63 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -79.58 119.55 77.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.088 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.57 8.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.1 t80 -66.24 -34.86 78.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -59.81 -45.44 92.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.83 -33.48 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.469 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 16.9 t80 -68.84 -38.16 79.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.78 -45.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.55 -43.63 84.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -44.51 90.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.495 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.4 t80 -58.33 -47.44 83.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -74.68 -21.3 59.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -72.74 -44.78 61.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.43 HG21 ' CD1' ' A' ' 150' ' ' ILE . 47.8 m -74.39 -37.24 63.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.537 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.44 -46.73 83.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -74.07 -6.08 45.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.282 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.09 -16.03 55.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.2 tt0 174.45 54.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.0 OUTLIER -38.0 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.93 152.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.456 ' HB3' ' CG2' ' A' ' 181' ' ' VAL . 7.9 t -166.28 145.27 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -66.62 -13.14 60.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -139.19 52.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 178' ' ' SER . 3.2 t -65.48 -47.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -77.41 -37.44 51.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -2.91 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -157.38 105.87 2.11 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -76.12 170.76 15.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 189' ' ' LEU . 0.9 OUTLIER -59.29 -71.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.481 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.467 ' HB2' ' CE ' ' A' ' 214' ' ' MET . 1.3 pt-20 -47.53 -29.08 2.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.189 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.409 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -70.93 -38.18 72.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.16 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -71.77 -46.3 58.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.21 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.41 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 0.6 OUTLIER -59.57 -44.0 93.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 202' ' ' LEU . 78.2 t -67.33 -46.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.53 -38.25 90.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.368 1.042 . . . . 0.0 110.245 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 28.8 t-20 -86.4 7.71 24.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.42 ' HB1' ' NE2' ' A' ' 155' ' ' GLN . . . -95.34 158.02 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -47.18 172.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.03 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 21.0 m-20 -52.61 -49.29 65.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.0 t -54.23 -37.16 64.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 108.365 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -58.17 -46.51 85.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 64.6 m -62.74 -41.01 98.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.465 HG21 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -66.21 -36.29 77.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.469 1.105 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -72.05 -27.64 62.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -72.54 -47.9 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.99 -25.66 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.49 ' CD1' ' CG ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -66.89 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . 0.425 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 179.84 141.02 4.42 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.581 1.176 . . . . 0.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 131.78 49.34 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 213' ' ' GLU . . . -80.38 167.84 19.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 13.1 t -75.95 159.0 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.08 -43.47 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.75 -44.01 85.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.49 ' CG ' ' CD1' ' A' ' 205' ' ' LEU . 0.8 OUTLIER -67.6 -40.08 84.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 6.7 mtt -62.92 -42.83 99.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.76 -31.68 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 110.962 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -40.04 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.465 ' CB ' HG21 ' A' ' 201' ' ' ILE . . . -72.11 -46.27 57.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 7.3 t -55.2 -42.52 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.335 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.8 -24.67 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.03 -22.93 64.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.2 p -45.32 149.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 63.2 166.1 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -149.85 -77.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.03 19.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -46.93 165.4 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.08 126.99 8.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 0.816 . . . . 0.0 109.633 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.42 153.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.6 130.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.19 150.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.6 p -102.69 140.86 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 8.5 t -100.25 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.468 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -78.92 -18.49 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.77 -34.18 77.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.1 -15.62 63.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.607 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -86.9 78.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.5 168.44 13.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.01 94.5 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.77 -170.03 3.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -89.91 5.11 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -88.5 113.1 54.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.201 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -178.95 4.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 15.2 t80 -70.55 -32.49 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.71 -45.14 95.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.77 -33.31 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 3.5 t80 -67.78 -41.96 82.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.73 -45.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.212 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -58.84 -43.79 90.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.49 -44.06 79.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.457 ' N ' HG21 ' A' ' 153' ' ' ILE . 50.6 t80 -58.35 -48.12 81.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -75.62 -21.95 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -73.15 -44.36 60.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.468 ' CG2' HD13 ' A' ' 150' ' ' ILE . 96.5 m -74.12 -36.48 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.95 -46.83 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.412 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -77.29 1.06 19.84 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -110.15 0.63 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 179.96 58.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.348 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 179.45 112.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.45 112.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.61 171.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.35 -13.8 22.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -90.77 24.44 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 4.6 t -89.11 -45.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -43.56 75.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.03 -31.23 72.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -78.93 111.66 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -79.2 86.52 4.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.406 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -52.68 -27.62 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.466 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -33.81 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.464 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -70.56 -35.95 73.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.8 mt -74.09 -46.86 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.62 -41.98 82.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.48 ' CG1' HD11 ' A' ' 202' ' ' LEU . 24.6 t -73.06 -47.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 188' ' ' THR . 1.7 mt-30 -61.28 -46.66 89.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 2.0 t-20 -77.14 0.42 21.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -97.16 163.13 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -45.02 168.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.065 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -52.93 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.408 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.7 OUTLIER -51.37 -51.0 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 12.0 t -54.28 -37.31 64.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . 0.553 ' HZ1' ' HB3' ' A' ' 199' ' ' LYS . 0.0 OUTLIER -58.28 -43.75 88.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.383 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.6 m -65.08 -41.61 94.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.408 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.78 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.48 HD11 ' CG1' ' A' ' 191' ' ' VAL . 3.9 mt -69.56 -31.47 69.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -39.64 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.248 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.8 62.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' ' 217' ' ' ALA . 0.8 OUTLIER -52.36 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.44 155.4 12.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.689 1.243 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 57.81 4.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 45.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.647 1.217 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.465 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -79.54 158.21 27.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -91.65 152.68 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 169' ' ' TYR . 2.9 mp -44.42 -37.0 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.54 -43.76 98.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.447 ' CG ' ' CD2' ' A' ' 205' ' ' LEU . 4.2 tp10 -68.8 -42.19 77.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.465 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 2.7 mtt -62.66 -43.01 99.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.576 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -68.74 -35.58 77.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -38.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -72.29 -36.4 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 8.8 t -66.23 -41.99 89.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.88 -25.6 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.58 -28.25 59.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -46.9 149.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.737 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.47 -166.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 104.33 -97.65 1.43 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 133.83 17.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.592 1.838 . . . . 0.0 111.044 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 48.58 -170.7 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.579 1.174 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -84.57 162.52 19.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -116.58 -39.5 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.58 112.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.27 111.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.8 p -45.2 146.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.587 0.232 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.3 t -98.21 169.62 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.407 ' O ' ' HB ' ' A' ' 153' ' ' ILE . 2.6 mm -73.09 -19.23 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.61 -36.85 85.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.209 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.7 -21.71 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.633 1.208 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.3 mp -80.94 100.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.42 164.23 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.487 ' OE1' ' CB ' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -73.01 90.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.65 -179.89 3.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.429 1.752 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -77.05 -14.62 59.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.381 1.051 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.58 121.5 83.71 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 176.53 9.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.9 t80 -67.48 -36.02 80.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.51 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.64 -35.62 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.402 ' CE1' HG22 ' A' ' 153' ' ' ILE . 7.3 t80 -67.72 -40.75 84.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.59 -44.11 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -57.43 -44.83 85.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.92 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.442 ' N ' HG23 ' A' ' 153' ' ' ILE . 51.2 t80 -58.14 -47.44 83.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.48 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 5.0 m-85 -73.93 -21.31 60.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -72.4 -45.02 61.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.43 ' OG1' HD11 ' A' ' 153' ' ' ILE . 75.7 m -74.43 -36.42 63.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.34 -48.54 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.83 3.49 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.69 -20.92 23.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.8 OUTLIER -170.65 37.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.5 OUTLIER -38.5 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.79 160.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.412 ' CB ' HG22 ' A' ' 181' ' ' VAL . 0.2 OUTLIER -168.4 163.2 12.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.22 -14.35 62.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 66.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 178' ' ' SER . 52.4 t -60.14 -37.74 74.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.27 -52.3 61.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.72 -31.42 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -77.15 157.95 30.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.483 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -138.04 132.62 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 189' ' ' LEU . 1.4 m -62.22 -69.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.4 -39.46 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.483 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -66.02 -35.41 80.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 186' ' ' THR . 4.1 mt -67.54 -46.93 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 1.6 tp -58.02 -42.8 86.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.478 HG12 ' CD2' ' A' ' 202' ' ' LEU . 38.3 t -65.97 -48.98 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.049 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.93 92.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 189' ' ' LEU . 17.5 t-20 -88.14 12.92 12.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.398 1.061 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -108.03 148.46 29.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.2 OUTLIER -42.18 164.76 0.1 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.345 1.028 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.06 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.567 1.824 . . . . 0.0 110.986 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -45.98 45.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 44.3 t -58.41 -36.64 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -47.03 84.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -42.23 98.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -41.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.387 1.054 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.478 ' CD2' HG12 ' A' ' 191' ' ' VAL . 4.2 tp -69.14 -25.19 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -71.17 -47.62 56.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.89 -19.44 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.388 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 206' ' ' GLY . 0.2 OUTLIER -84.94 -72.55 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . 0.486 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . 179.85 131.62 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.47 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.498 1.788 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.94 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.46 ' HB3' ' CG ' ' A' ' 213' ' ' GLU . . . -80.48 169.25 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 0.748 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -59.85 159.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 210' ' ' THR . 0.1 OUTLIER -52.94 -49.81 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.93 -31.75 68.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 209' ' ' ALA . 0.9 OUTLIER -67.94 -45.29 74.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 53.3 mtm -63.61 -43.82 95.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.568 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.4 ttp -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.06 -40.59 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -70.35 -39.37 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.54 -43.7 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 108.318 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -25.34 67.25 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.57 -25.97 62.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.4 p -48.1 150.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.95 -165.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 80.33 101.6 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 162.09 37.88 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -109.77 -137.95 7.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 176.34 9.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.58 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.48 172.14 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.66 164.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.67 163.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 67.6 t -129.84 125.1 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 6.6 t -101.37 79.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.8 mm -78.7 -16.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -27.78 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.1 -7.07 53.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' A' ' 171' ' ' THR . 3.0 mp -94.12 97.49 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 7.2 ttt180 -128.58 162.42 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.587 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 -101.43 93.47 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -66.48 172.11 28.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -74.86 -21.91 58.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.1 132.22 79.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.84 30.67 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 38.9 t80 -55.13 -31.4 61.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -62.1 -45.48 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.27 -36.97 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.587 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 12.4 t80 -64.52 -41.65 96.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.8 -42.19 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.57 -41.6 81.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -66.74 -44.91 80.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 172' ' ' LEU . 48.3 t80 -58.84 -47.65 84.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -76.25 -20.19 57.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.357 1.036 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -46.26 57.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.503 ' CB ' HD12 ' A' ' 153' ' ' ILE . 31.5 m -75.96 -33.05 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.47 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -55.09 -39.47 69.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -58.2 -21.15 46.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.0 15.32 24.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.3 tm-20 -154.37 46.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 175' ' ' GLU . 6.3 tp-100 -34.92 150.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.614 1.196 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.419 ' HB1' ' CG2' ' A' ' 181' ' ' VAL . . . -41.63 161.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.57 175.69 9.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -60.26 -14.04 15.83 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.6 OUTLIER -96.47 29.54 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.419 ' CG2' ' HB1' ' A' ' 177' ' ' ALA . 2.2 t -66.46 -49.69 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -33.35 65.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -86.0 -25.81 25.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -84.42 157.7 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 188' ' ' THR . . . -144.72 96.72 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.6 m -62.48 -59.94 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.45 -47.05 70.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.6 mt -72.57 -47.03 51.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.35 -44.4 92.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.407 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.447 ' CG1' HD11 ' A' ' 202' ' ' LEU . 58.4 t -68.9 -44.69 81.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -37.59 87.67 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 15.1 t-20 -88.1 6.63 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -96.52 158.62 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.2 OUTLIER -49.35 175.51 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.427 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -74.96 -52.94 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.43 1.752 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 201' ' ' ILE . 1.5 m-20 -51.48 -54.55 25.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.63 -37.3 65.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.504 1.127 . . . . 0.0 108.36 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -58.21 -44.82 88.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.7 m -64.91 -41.91 95.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.457 HG23 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.1 -35.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.09 . . . . 0.0 109.356 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 214' ' ' MET . 6.9 mt -70.11 -35.24 73.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -68.45 -35.52 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -27.97 43.18 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -54.84 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 173.75 154.93 11.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.89 4.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.62 45.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.472 ' CB ' HD22 ' A' ' 205' ' ' LEU . . . -78.85 159.93 27.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 0.781 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 12.3 t -91.28 160.6 15.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.43 -40.48 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.87 -39.74 86.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.433 ' CG ' HD22 ' A' ' 205' ' ' LEU . 3.2 tp10 -70.27 -38.54 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.449 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 1.2 mtt -65.06 -44.34 89.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 23.3 ttp -70.92 -34.19 71.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -39.0 86.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 205' ' ' LEU . . . -72.35 -39.68 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.408 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 6.8 t -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.61 67.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.209 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.46 -29.33 55.96 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 221' ' ' VAL . 0.7 OUTLIER -46.55 121.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 65.97 166.04 1.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.427 1.079 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 224' ' ' PRO . . . 147.18 -56.35 0.51 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 223' ' ' GLY . 18.5 Cg_endo -74.95 74.81 3.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 129.07 -153.22 19.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -132.88 106.66 7.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 109.624 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 161.3 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -40.38 129.03 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.71 114.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 86.0 t -133.42 131.95 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.583 0.23 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.2 t -102.05 159.1 15.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 110.056 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 171' ' ' THR . 4.9 mm -80.93 -16.69 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.33 -29.47 69.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.8 -13.53 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.62 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -85.4 105.99 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.4 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -140.02 167.1 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.514 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? -115.43 112.0 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -74.11 173.92 50.06 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.391 1.732 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -91.27 -18.59 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.453 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 41.2 tt0 -80.59 140.64 51.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 159' ' ' GLU . 18.2 Cg_endo -75.07 152.71 40.79 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 72.8 t80 -70.51 -23.58 62.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -67.37 -46.62 72.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -35.47 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.514 ' CG ' ' HB2' ' A' ' 155' ' ' GLN . 11.2 t80 -65.65 -47.08 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.19 -43.56 96.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -58.0 -43.26 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -44.29 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.463 ' N ' HG21 ' A' ' 153' ' ' ILE . 53.8 t80 -58.25 -47.07 84.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -75.2 -21.71 58.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -44.37 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.467 ' CG2' HD13 ' A' ' 150' ' ' ILE . 92.4 m -73.89 -39.54 63.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.16 -47.09 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -9.46 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -72.21 -22.75 61.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.4 OUTLIER -164.64 37.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.7 OUTLIER -38.21 97.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.79 158.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 7.8 t -177.11 160.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -13.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.2 OUTLIER -166.43 67.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.84 -40.55 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -44.26 97.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.6 -28.46 60.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -65.53 158.72 26.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.451 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -131.43 93.52 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 25.5 p -51.77 -45.24 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -58.5 -38.49 77.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -68.07 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.3 mt -69.59 -47.27 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.199 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -57.56 -44.14 85.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.53 -47.15 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.83 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 30.9 t-20 -92.15 17.42 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -114.08 155.47 25.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 5.2 p-10 -41.38 162.17 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.01 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.14 -46.51 45.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.454 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 49.3 t -57.45 -36.27 71.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -63.12 -42.67 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.27 -36.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -33.01 72.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -67.31 -41.21 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.36 54.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.492 ' CD2' ' HG2' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -66.71 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.88 154.81 13.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.38 4.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.58 55.07 0.06 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.474 ' O ' ' CE ' ' A' ' 214' ' ' MET . . . -80.42 165.87 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 0.723 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.24 152.8 39.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.333 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.91 -44.68 60.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.26 -33.88 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.492 ' HG2' ' CD2' ' A' ' 205' ' ' LEU . 3.3 tt0 -72.19 -42.42 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -64.76 -47.21 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.4 ptt? -68.3 -31.64 71.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.1 m -67.83 -38.74 83.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -71.87 -38.55 70.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 8.9 t -63.04 -47.03 84.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -62.02 -29.59 70.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.18 -26.78 69.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.2 p -45.94 148.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.3 -165.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -176.61 166.74 37.81 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.56 21.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 108.31 175.64 21.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -149.03 -61.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 228' ' ' ALA . 4.5 tttt -55.09 112.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.26 123.66 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -42.42 134.77 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.7 102.91 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.58 0.229 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 t -95.27 176.35 6.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.1 mm -79.95 -20.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.08 -40.27 93.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.52 -24.7 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.604 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -80.88 96.61 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.192 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -134.57 170.68 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 16.9 mt-30 -83.21 95.71 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.7 175.3 12.73 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -71.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.822 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -15.71 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.79 126.59 89.45 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.393 1.058 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.43 24.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.9 t80 -68.55 -30.71 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 111.003 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -46.18 86.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -66.63 -37.09 84.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.259 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 8.6 t80 -65.32 -42.0 93.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.08 -42.27 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -57.59 -44.0 85.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.461 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.2 OUTLIER -63.72 -43.33 96.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.419 ' N ' HG22 ' A' ' 153' ' ' ILE . 51.6 t80 -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.8 m-85 -75.16 -21.6 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -72.92 -44.4 61.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.464 ' CG2' HD13 ' A' ' 150' ' ' ILE . 57.2 m -74.2 -37.2 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.537 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.49 -50.34 73.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -8.16 37.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -75.06 -17.54 60.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.64 46.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.8 OUTLIER 179.28 151.99 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.229 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.09 70.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.468 ' HA ' ' CG2' ' A' ' 181' ' ' VAL . 1.6 t 67.89 33.8 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.61 1.194 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 180' ' ' GLU . 0.0 OUTLIER -73.87 -30.8 62.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 179' ' ' GLN . 13.3 mt-10 -164.54 54.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 178' ' ' SER . 55.6 t -52.18 -39.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.61 73.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -79.67 -15.2 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -171.1 109.06 0.3 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.457 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -80.57 122.89 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.7 p -45.1 -46.23 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 188' ' ' THR . 1.7 pm0 -65.25 -30.58 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.457 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -71.05 -43.6 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.3 mt -68.67 -46.46 69.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 164' ' ' TYR . 1.2 tp -57.98 -44.13 86.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 202' ' ' LEU . 42.1 t -65.71 -47.64 85.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -38.01 89.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 42.9 t-20 -89.35 13.81 12.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.198 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.421 ' HB1' ' NE2' ' A' ' 155' ' ' GLN . . . -103.14 158.98 15.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -48.16 175.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.06 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.829 . . . . 0.0 110.992 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.9 OUTLIER -51.76 -54.08 32.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 20.5 t -54.58 -37.5 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.61 -44.52 89.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.9 m -65.15 -41.85 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.455 HG23 ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -38.69 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.201 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 191' ' ' VAL . 5.6 mt -72.4 -29.9 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -70.3 -35.44 73.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.56 -31.1 41.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -53.26 -84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 164.57 155.49 8.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.34 4.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 167.01 40.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' A' ' 205' ' ' LEU . . . -80.02 157.35 26.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 212' ' ' GLU . 7.6 p -101.36 -172.01 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 211' ' ' LEU . 1.6 tm? -70.95 -55.39 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 213' ' ' GLU . 1.2 pp20? -54.24 -42.25 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 212' ' ' GLU . 1.2 tp10 -67.36 -44.22 79.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.85 -42.3 98.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.567 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.41 -32.68 70.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -40.05 89.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.484 ' HB3' ' CD1' ' A' ' 205' ' ' LEU . . . -71.67 -40.29 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 5.8 t -64.81 -38.33 90.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.78 -27.69 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.335 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.19 -25.93 69.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.01 152.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.96 -166.64 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 108.09 -90.39 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 170.67 19.9 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.559 1.821 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -111.98 -154.65 12.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.362 1.039 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -179.62 176.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.658 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -117.67 113.17 21.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -40.78 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.64 117.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 110.286 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.71 151.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.546 0.213 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.412 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 8.5 t -98.64 174.91 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 0.0 109.99 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.48 ' CD1' HG23 ' A' ' 171' ' ' THR . 6.8 mm -73.79 -19.08 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -32.66 74.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.41 -14.8 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -87.25 96.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.519 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 8.5 mtt85 -122.23 164.03 18.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.574 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 4.6 tt0 -100.69 99.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.03 165.21 54.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -50.05 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.768 . . . . 0.0 111.084 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -24.57 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -81.81 134.25 50.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 157.05 43.23 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.602 1.843 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 57.0 t80 -63.53 -29.91 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.194 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.625 HH21 ' HD2' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -34.21 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.574 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 14.7 t80 -67.21 -38.92 86.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.9 t -70.79 -41.92 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.625 ' HD2' HH21 ' A' ' 162' ' ' ARG . 6.9 t70 -57.68 -44.9 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -44.34 88.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' A' ' 172' ' ' LEU . 46.8 t80 -58.19 -47.83 82.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.487 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -75.38 -21.0 58.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -72.28 -45.19 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.48 HG23 ' CD1' ' A' ' 150' ' ' ILE . 53.0 m -74.84 -36.58 62.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -57.06 -42.05 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.94 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -133.37 26.76 4.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.57 54.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.265 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.434 ' CG ' HG13 ' A' ' 181' ' ' VAL . 0.0 OUTLIER 179.27 131.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.65 87.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.473 ' CB ' ' HB ' ' A' ' 181' ' ' VAL . 0.3 OUTLIER -139.29 172.41 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.098 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -58.86 -30.24 67.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.474 ' CA ' ' HB3' ' A' ' 184' ' ' ALA . 0.1 OUTLIER -155.4 62.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.245 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 178' ' ' SER . 39.5 t -134.65 -45.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.14 -57.52 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.03 -31.28 12.23 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.474 ' HB3' ' CA ' ' A' ' 180' ' ' GLU . . . -87.72 148.24 24.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 66.1 10.29 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -60.07 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 191' ' ' VAL . 9.6 pm0 -60.87 -29.1 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.39 -42.44 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 161' ' ' PHE . 1.0 OUTLIER -59.15 -44.07 92.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 187' ' ' GLU . 56.0 t -66.13 -46.39 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.7 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.2 t-20 -87.48 8.98 22.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -95.59 166.69 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.27 172.71 0.27 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.6 1.187 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -52.54 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -51.58 -50.7 59.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -54.22 -37.91 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.46 -43.37 88.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 85.0 m -65.22 -40.69 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 197' ' ' ASP . 0.7 OUTLIER -63.74 -46.18 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -68.96 -24.43 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -73.4 -49.32 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.389 1.056 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.5 -18.71 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.48 ' CD1' ' CG ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -78.62 -68.46 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 166.21 133.45 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 57.17 4.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 164.57 41.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.596 1.185 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.473 ' HB2' ' CD2' ' A' ' 205' ' ' LEU . . . -80.95 162.12 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 213' ' ' GLU . 10.1 t -92.43 154.79 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 210' ' ' THR . 0.9 OUTLIER -39.59 -37.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.59 -51.57 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.48 ' CG ' ' CD1' ' A' ' 205' ' ' LEU . 1.0 OUTLIER -66.06 -38.43 88.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.234 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.418 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 1.4 mtt -63.51 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.593 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.9 -33.05 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -40.22 88.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.72 -41.91 67.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.434 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 5.8 t -61.3 -40.2 93.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.79 -24.65 66.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.282 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.26 -25.26 61.85 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.553 1.158 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -46.18 146.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.195 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 65.07 165.93 1.27 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 56.88 -127.57 44.95 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.71 34.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 148.51 -100.6 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -143.97 163.99 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.572 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.44 131.47 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.382 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.33 149.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.64 148.23 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.357 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.82 137.96 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.1 t -86.1 177.15 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 4.0 mm -73.07 -18.15 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.5 pp -66.94 -30.85 71.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.7 -15.58 62.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.61 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -83.75 77.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.2 170.9 8.9 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.565 ' NE2' HD22 ' A' ' 195' ' ' ASN . 0.0 OUTLIER -77.84 94.47 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.41 -154.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -89.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.366 1.719 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -11.25 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.6 112.12 3.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.58 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 19.4 t80 -70.81 -32.1 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -46.08 91.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.29 -33.44 75.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.43 ' OH ' ' C ' ' A' ' 193' ' ' ASN . 4.1 t80 -66.95 -44.11 81.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.23 -42.5 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.436 ' HB3' ' CE ' ' A' ' 170' ' ' LYS . 1.4 m-20 -58.91 -44.31 91.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -43.27 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.501 ' CE2' ' HB2' ' A' ' 190' ' ' LEU . 53.7 t80 -58.45 -47.36 84.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.493 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -76.26 -21.96 55.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.436 ' CE ' ' HB3' ' A' ' 166' ' ' ASP . 14.9 mtmt -72.64 -44.09 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.429 ' OG1' HD11 ' A' ' 153' ' ' ILE . 34.8 m -74.01 -39.28 63.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 0.0 110.445 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.51 -49.52 76.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 173' ' ' ARG . 2.9 ttp-105 -67.59 -16.0 63.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -83.77 -29.77 27.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.4 mt-10 164.68 60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.465 ' HB3' ' CA ' ' A' ' 172' ' ' LEU . 1.4 pp0? -56.61 86.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.3 151.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.459 ' CB ' ' HB ' ' A' ' 181' ' ' VAL . 0.2 OUTLIER -173.18 171.08 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -58.8 -18.9 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.39 46.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 189' ' ' LEU . 13.7 t -129.49 -48.29 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.389 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -57.26 -43.12 82.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -63.9 -31.79 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -83.53 151.77 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -83.4 166.15 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 189' ' ' LEU . 15.1 m -62.76 -80.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 188' ' ' THR . 0.9 OUTLIER -47.23 -28.89 2.08 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.465 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -71.07 -35.5 71.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 181' ' ' VAL . 2.3 mt -75.39 -44.15 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.501 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -58.62 -42.72 88.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.479 ' CG2' HD12 ' A' ' 202' ' ' LEU . 38.7 t -75.35 -47.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.6 tp60 -60.7 -40.27 91.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 189' ' ' LEU . 2.6 t-20 -88.15 14.9 8.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 109.406 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -111.34 159.94 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.565 HD22 ' NE2' ' A' ' 155' ' ' GLN . 0.2 OUTLIER -42.51 165.3 0.1 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.583 1.833 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.59 -51.92 33.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.458 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 10.6 t -56.37 -36.81 69.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 108.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -57.59 -44.98 85.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 63.6 m -64.16 -42.13 96.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.456 HG23 ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -37.52 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.479 HD12 ' CG2' ' A' ' 191' ' ' VAL . 1.4 mt -72.22 -31.93 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -67.02 -38.27 85.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.228 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.53 -30.79 53.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.513 ' CD2' ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -57.52 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.83 155.68 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 56.8 4.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 151.69 50.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.513 ' CB ' ' CD2' ' A' ' 205' ' ' LEU . . . -79.23 157.26 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.799 . . . . 0.0 109.259 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 12.9 t -93.65 154.57 17.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 2.8 mp -44.81 -36.07 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.46 -50.05 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.467 ' CG ' ' CD2' ' A' ' 205' ' ' LEU . 4.6 tp10 -68.26 -36.07 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.415 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 4.4 mtt -65.21 -46.56 80.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.58 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 1.5 ttp -69.5 -32.69 71.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -38.81 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 205' ' ' LEU . . . -72.35 -37.67 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.54 -43.26 97.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 108.348 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.16 -26.97 65.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.73 149.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.12 -165.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 134.94 -177.54 19.23 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 109.94 3.02 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.524 1.802 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 167.66 167.16 27.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -106.56 138.47 42.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.623 0.837 . . . . 0.0 109.557 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -62.73 1.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.62 157.88 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.71 135.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 70.5 t -119.11 116.71 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.03 164.89 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.464 HD12 ' CG2' ' A' ' 171' ' ' THR . 6.8 mm -80.17 -17.1 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.94 -30.68 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.91 -14.47 61.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -85.23 98.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.38 171.59 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.495 ' OE1' ' CB ' ' A' ' 194' ' ' ALA . 0.1 OUTLIER -81.78 90.66 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -49.4 174.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.511 1.795 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -15.92 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.04 129.13 89.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.595 1.185 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.11 176.0 10.5 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.431 1.753 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.2 t80 -70.35 -34.8 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.03 90.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.435 ' OH ' ' O ' ' A' ' 190' ' ' LEU . 11.5 t80 -62.55 -43.85 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.89 -42.5 96.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.626 1.204 . . . . 0.0 109.284 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -40.88 79.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.41 -44.89 81.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.428 ' N ' HG23 ' A' ' 153' ' ' ILE . 49.1 t80 -58.13 -47.36 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.458 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -75.84 -21.23 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -72.43 -44.6 62.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.464 ' CG2' HD12 ' A' ' 150' ' ' ILE . 59.7 m -74.04 -39.12 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.91 -47.63 82.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.5 mtt85 -75.78 -7.44 54.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -79.07 -17.37 55.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.5 OUTLIER -173.17 45.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.225 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.7 OUTLIER -37.61 96.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.85 149.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.14 167.33 14.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.01 -14.81 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.27 73.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.88 -41.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.74 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.84 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -83.65 157.8 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.479 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -121.67 119.74 32.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 51.3 p -51.74 -42.41 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 188' ' ' THR . 1.4 pm0 -66.46 -29.14 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.479 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -71.22 -38.19 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -46.71 51.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.86 -44.58 94.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.48 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 34.7 t -68.14 -46.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.1 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 13.6 t-20 -94.93 20.39 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.495 ' CB ' ' OE1' ' A' ' 155' ' ' GLN . . . -108.84 159.4 16.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.4 OUTLIER -43.18 165.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 199' ' ' LYS . 18.0 Cg_endo -75.04 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.48 -47.4 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 15.1 t -59.1 -35.59 73.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.342 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 3.0 tttm -56.9 -47.33 80.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 53.7 m -62.22 -43.4 98.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.458 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.466 ' O ' ' CD1' ' A' ' 205' ' ' LEU . 0.5 OUTLIER -63.28 -37.71 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 191' ' ' VAL . 0.1 OUTLIER -66.69 -35.32 79.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -64.04 -40.32 96.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.88 -26.25 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -61.92 -92.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.68 154.73 13.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.098 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.39 5.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.23 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.578 1.174 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.73 162.54 24.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 3.6 t -94.95 165.27 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.81 -52.15 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -46.14 -39.54 9.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.21 -38.91 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 40.8 mtt -63.86 -44.62 92.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.548 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 34.8 ttp -70.39 -35.66 73.61 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.414 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.484 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -72.4 -42.65 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 11.6 t -57.98 -44.06 86.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.8 -25.33 67.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.91 -28.91 58.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.422 1.077 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.0 135.77 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.51 166.71 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 50.32 -147.51 7.67 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.48 42.64 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 154.41 173.56 23.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.26 144.78 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.617 0.834 . . . . 0.0 109.673 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 166.86 10.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.68 174.99 0.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 179.64 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.63 80.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.387 1.054 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 109.229 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.4 t -93.21 171.04 9.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.957 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 171' ' ' THR . 8.5 mm -78.62 -18.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.15 -33.11 75.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.232 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.26 -15.65 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.61 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -85.84 97.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 8.2 ttm180 -124.05 161.04 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.592 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 4.7 tt0 -96.56 95.02 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.75 165.78 32.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -21.15 53.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 47.9 tt0 -77.98 134.96 63.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.1 Cg_endo -74.98 149.14 36.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.4 t80 -58.65 -28.18 65.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.81 -34.14 77.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.592 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.8 t80 -66.87 -41.01 87.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 190' ' ' LEU . 4.2 t -68.44 -42.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.61 -44.68 85.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -44.14 92.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.438 ' CG ' HD12 ' A' ' 190' ' ' LEU . 48.4 t80 -58.13 -47.27 83.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -75.58 -20.6 58.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.88 -45.16 62.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.476 HG23 ' CD1' ' A' ' 150' ' ' ILE . 25.5 m -74.88 -37.79 62.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -45.41 84.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -84.38 9.91 12.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 110.175 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -97.72 -22.04 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.4 tt0 -170.03 45.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.0 OUTLIER -37.7 96.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 110.315 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.93 150.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 t -168.66 171.83 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -15.58 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 178.95 73.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.15 -40.2 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -57.52 12.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.416 1.073 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -32.02 71.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -82.66 159.65 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.479 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -124.4 138.54 54.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.157 . . . . 0.0 109.393 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 189' ' ' LEU . 0.9 OUTLIER -59.4 -68.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.44 ' O ' ' CG2' ' A' ' 191' ' ' VAL . 1.6 tp10 -45.31 -30.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.479 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -70.54 -40.46 73.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.434 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 186' ' ' THR . 2.7 mp -71.77 -47.11 55.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.438 HD12 ' CG ' ' A' ' 168' ' ' PHE . 1.0 OUTLIER -58.72 -43.82 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 187' ' ' GLU . 54.9 t -68.6 -46.51 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -62.89 -38.06 89.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 154' ' ' ARG . 0.1 OUTLIER -87.94 13.05 11.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -87.45 170.24 11.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.464 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.3 m-20 -62.9 175.87 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.98 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.498 1.788 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.85 -46.58 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.9 t -54.0 -36.48 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . 0.493 ' HA ' ' CD2' ' A' ' 202' ' ' LEU . 9.4 tttm -60.95 -41.69 96.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.2 m -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 110.444 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 199' ' ' LYS . 4.5 pp -69.9 -25.11 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -71.74 -44.89 63.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -20.17 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -82.8 -68.12 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . 0.45 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . 174.81 132.28 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 138.59 44.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.03 170.62 16.21 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.546 0.792 . . . . 0.0 109.209 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.9 162.17 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -56.21 -54.89 39.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 3.3 mt-10 -57.22 -27.7 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.475 ' CG ' HD12 ' A' ' 205' ' ' LEU . 0.1 OUTLIER -71.64 -44.72 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -46.93 80.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.593 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 5.0 ppp? -69.58 -29.1 66.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 212' ' ' GLU . 1.2 m -67.86 -41.48 82.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.82 -42.06 70.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.467 ' O ' ' CG1' ' A' ' 221' ' ' VAL . 7.2 t -59.79 -45.82 91.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 108.244 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -26.97 68.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.63 -23.29 67.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.552 1.158 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 218' ' ' CYS . 4.2 p -41.06 150.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.27 -165.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.601 1.188 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -81.06 166.15 48.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.7 32.84 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -100.84 -58.11 0.85 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.64 167.93 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 228' ' ' ALA . 11.1 pttt -130.77 116.0 17.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.26 142.8 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 134.31 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 9.1 p -97.25 161.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.484 1.115 . . . . 0.0 109.403 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.539 0.209 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.8 t -110.38 109.82 20.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 171' ' ' THR . 3.7 mm -87.91 -18.34 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.413 ' HA ' ' ND2' ' A' ' 193' ' ' ASN . 0.5 OUTLIER -64.44 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -70.52 -20.1 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.6 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -80.15 82.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' A' ' 164' ' ' TYR . 5.1 ptt180 -127.9 169.8 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.599 1.187 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 155' ' ' GLN . 2.1 pm0 -82.31 117.76 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -85.16 -159.22 30.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.78 -12.46 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.92 115.39 20.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.89 9.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.5 t80 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -62.27 -44.2 97.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.92 -33.49 75.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 154' ' ' ARG . 3.3 t80 -67.31 -43.36 81.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.61 -45.39 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.386 1.054 . . . . 0.0 109.231 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.37 -45.87 90.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.364 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -66.27 -41.95 89.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 190' ' ' LEU . 56.0 t80 -59.78 -47.37 85.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.48 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.5 m-85 -75.09 -21.77 58.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -72.7 -44.51 61.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.468 HG22 ' CD1' ' A' ' 150' ' ' ILE . 58.7 m -73.99 -37.43 64.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.93 -49.54 76.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -11.43 34.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 171' ' ' THR . . . -73.73 -20.88 60.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.8 OUTLIER 174.09 59.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 1.6 tm0? -37.34 120.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.25 156.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.442 ' CB ' HG21 ' A' ' 181' ' ' VAL . 0.1 OUTLIER -172.03 151.52 2.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 110.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.83 -12.72 61.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.0 OUTLIER -130.04 48.41 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.442 HG21 ' CB ' ' A' ' 178' ' ' SER . 95.9 t -69.92 -36.03 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -52.63 -42.39 64.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.7 -11.75 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . 72.87 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -105.31 19.87 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 189' ' ' LEU . 3.3 m -62.58 -81.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.02 -34.23 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 192' ' ' GLN . 0.4 OUTLIER -66.25 -37.56 85.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.364 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' THR . 3.3 mt -71.31 -46.59 60.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -54.27 -42.82 70.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.201 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 46.8 t -72.37 -47.79 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 188' ' ' THR . 2.5 mt-30 -58.56 -52.95 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.414 ' C ' ' OH ' ' A' ' 164' ' ' TYR . 3.1 t-20 -70.11 -5.22 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -95.19 153.3 17.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 3.9 p-10 -40.27 160.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -49.13 -46.11 44.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 49.7 t -54.53 -37.33 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -45.75 87.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.9 m -62.8 -40.72 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.424 1.078 . . . . 0.0 110.454 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -43.25 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.35 -22.8 61.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -71.6 -47.29 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.59 -22.96 53.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -82.33 -56.5 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.362 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 168.37 127.13 0.89 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.48 44.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.468 ' HB2' ' CG ' ' A' ' 213' ' ' GLU . . . -80.25 167.2 20.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -59.04 167.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 210' ' ' THR . 6.2 tt -56.23 -56.74 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -32.1 53.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 209' ' ' ALA . 1.7 tt0 -67.52 -46.68 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.09 97.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.8 ttm -70.24 -31.98 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -39.99 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -71.45 -42.81 67.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 8.0 t -58.94 -45.89 89.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.286 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.68 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.09 -22.85 64.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -47.11 153.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -165.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -143.09 159.63 27.46 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 165.86 30.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -58.65 154.18 27.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -85.49 -63.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 109.581 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.98 160.45 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.61 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.238 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 155.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 9.6 p -89.63 151.6 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.548 0.213 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.4 ' C ' HG22 ' A' ' 171' ' ' THR . 1.7 t -124.18 106.59 10.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.063 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.485 ' CD1' HG22 ' A' ' 171' ' ' THR . 5.5 mm -83.82 -18.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.18 -22.83 63.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.583 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -76.3 119.5 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.451 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 10.0 ptt180 -152.59 164.24 38.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.227 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.439 ' OE1' ' CG ' ' A' ' 195' ' ' ASN . 1.2 tm0? -118.24 112.51 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.354 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -70.38 -174.73 16.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.32 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -69.03 136.48 89.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.369 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 148.5 36.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 76.1 t80 -70.49 -22.65 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -45.66 82.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.177 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -64.0 -39.43 94.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.223 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.5 ' CE1' HG23 ' A' ' 153' ' ' ILE . 12.5 t80 -63.03 -44.75 95.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.7 -43.18 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.419 ' HB3' ' HZ1' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -57.88 -42.77 85.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -66.67 -44.82 80.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 190' ' ' LEU . 62.3 t80 -58.25 -47.12 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -74.35 -22.71 59.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.419 ' HZ1' ' HB3' ' A' ' 166' ' ' ASP . 44.7 mttt -72.93 -44.57 61.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.224 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.485 HG22 ' CD1' ' A' ' 150' ' ' ILE . 54.8 m -74.03 -35.14 64.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.462 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.65 -39.81 74.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -61.4 -32.05 71.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.77 14.37 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 176' ' ' GLN . 1.7 tm-20 -147.59 42.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 177' ' ' ALA . 5.2 tt0 -37.11 155.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.235 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 176' ' ' GLN . . . -39.54 154.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.1 172.14 13.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.52 -38.0 82.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.75 -45.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -35.34 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -60.5 -31.96 70.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.91 99.82 12.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -47.37 109.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 m -39.33 -58.7 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.409 ' CD ' ' C ' ' A' ' 187' ' ' GLU . 3.4 tm-20 -51.03 -39.49 56.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.49 -28.49 68.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -72.23 -47.0 53.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.602 1.189 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -58.7 -44.94 90.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.62 -46.68 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.09 89.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 36.7 t-20 -92.42 17.66 9.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -113.02 160.54 18.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 4.0 p-10 -41.81 162.43 0.14 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -75.1 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.27 -44.75 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.463 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 43.2 t -59.28 -35.75 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -56.73 -47.07 80.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 51.6 m -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.415 HG22 ' CB ' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.27 -34.63 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.88 -34.6 73.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -67.53 -38.25 83.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.143 . . . . 0.0 109.404 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.59 -23.03 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -69.46 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.3 153.42 10.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 57.89 4.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 152.46 49.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -79.9 155.33 27.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 213' ' ' GLU . 9.5 t -94.27 149.01 21.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 211' ' ' LEU . 0.0 OUTLIER -41.43 -31.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 211' ' ' LEU . 4.4 tt0 -67.92 -51.14 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.477 ' CG ' HD23 ' A' ' 205' ' ' LEU . 1.5 tp10 -66.39 -39.82 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 25.7 mtm -63.33 -42.99 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.596 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.7 ttp -68.92 -35.4 76.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -37.96 85.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.423 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -72.15 -37.52 69.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 10.1 t -63.57 -46.2 86.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.227 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.71 -29.98 53.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.593 1.183 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -49.66 144.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -66.86 -165.78 2.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 130.74 -84.15 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 161.75 38.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -93.21 -123.48 3.49 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.526 1.142 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -144.18 105.91 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.409 0.711 . . . . 0.0 109.663 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.96 147.73 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.57 147.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 230' ' ' VAL . 1.6 ttt180 179.62 144.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 231' ' ' LEU . 2.2 p 44.34 -168.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . 0.452 ' N ' HG13 ' A' ' 230' ' ' VAL . 2.1 pp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.18 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.556 0.217 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 6.2 t -102.87 174.11 6.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.7 mm -76.98 -15.75 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.5 -30.36 70.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.72 -7.95 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.5 HD12 ' CB ' ' A' ' 171' ' ' THR . 2.6 mp -94.56 96.98 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.464 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -126.68 162.57 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 195' ' ' ASN . 19.3 tt0 -94.88 98.89 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -73.46 162.57 54.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.583 1.177 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -74.19 -23.55 59.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 109.276 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.68 138.02 47.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 157.6 42.35 Favored 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.415 1.744 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 55.0 t80 -66.39 -30.87 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -45.47 92.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.93 -35.16 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.464 ' CE1' ' C ' ' A' ' 154' ' ' ARG . 12.6 t80 -66.23 -43.08 87.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.32 -42.94 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.072 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -57.51 -43.73 84.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -42.8 98.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' ' 172' ' ' LEU . 48.0 t80 -59.34 -47.47 85.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.49 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.9 m-85 -76.21 -19.01 58.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.28 -46.24 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.5 ' CB ' HD12 ' A' ' 153' ' ' ILE . 12.9 m -75.89 -39.12 57.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.65 -44.94 81.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.3 10.54 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.08 -15.79 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER -168.23 43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' HG2' ' CD1' ' A' ' 172' ' ' LEU . 0.3 OUTLIER -38.39 96.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.72 150.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.43 ' HB2' ' CG2' ' A' ' 181' ' ' VAL . 0.3 OUTLIER -167.75 170.41 10.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -61.52 -13.61 22.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 177.25 75.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.247 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 178' ' ' SER . 59.5 t -59.85 -38.53 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.8 11.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.31 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 181' ' ' VAL . . . -84.79 160.58 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -132.52 136.79 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 189' ' ' LEU . 0.9 OUTLIER -59.25 -69.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.07 -33.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.464 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -69.97 -40.01 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' ASN . 1.8 mp -69.75 -46.78 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.431 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 1.4 tp -57.09 -44.35 83.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.388 1.055 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 39.8 t -66.76 -46.82 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -37.85 88.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 47.4 t-20 -92.25 17.11 10.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.39 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -101.59 178.36 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 155' ' ' GLN . 0.3 OUTLIER -61.25 169.66 2.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.04 -45.37 61.28 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 41.9 t -54.56 -36.06 63.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -47.13 82.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 66.5 m -62.39 -42.41 99.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.463 HG22 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.06 -34.61 69.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.468 ' CD2' ' HE1' ' A' ' 214' ' ' MET . 0.5 OUTLIER -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -66.6 -38.79 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.82 -24.5 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.486 ' CD1' ' HB1' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.05 -84.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.52 147.63 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 44.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.4 164.54 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 213' ' ' GLU . 14.6 t -88.46 147.93 24.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.491 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -34.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.389 1.056 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.02 -46.4 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.479 ' CG ' HD23 ' A' ' 205' ' ' LEU . 2.4 tp10 -67.16 -39.03 86.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.468 ' HE1' ' CD2' ' A' ' 202' ' ' LEU . 3.2 mtp -64.03 -41.23 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.582 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.8 ttt -71.58 -34.26 69.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -38.64 86.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.486 ' HB1' ' CD1' ' A' ' 205' ' ' LEU . . . -72.32 -41.83 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.447 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 8.8 t -59.31 -45.29 91.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.06 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.053 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.94 -29.71 53.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 221' ' ' VAL . 0.8 OUTLIER -42.03 121.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.346 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.17 166.14 2.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -137.51 149.07 20.18 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 103.67 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -111.09 -109.56 3.14 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.579 1.174 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 145.48 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.624 0.838 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.45 172.52 7.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.65 152.18 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.48 136.84 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.8 p -91.41 146.85 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.416 ' O ' ' CD1' ' A' ' 153' ' ' ILE . 6.3 t -86.94 174.12 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 7.3 mm -79.85 -17.41 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.54 -25.27 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -78.38 -10.4 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.626 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.1 mp -86.27 90.53 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 166.22 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.541 ' HB2' ' CD1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -153.2 132.08 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.179 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -93.48 -165.94 37.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -72.63 -25.75 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 29.9 tt0 -61.33 140.1 94.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 159' ' ' GLU . 18.3 Cg_endo -74.94 134.33 17.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.56 1.821 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 9.7 t80 -71.32 -29.13 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -47.97 82.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.434 ' OD1' ' HG2' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -67.46 -32.83 73.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 155' ' ' GLN . 32.6 t80 -66.48 -46.49 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.46 HG23 ' CD2' ' A' ' 211' ' ' LEU . 3.2 t -62.79 -43.11 98.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 170' ' ' LYS . 13.4 m-20 -58.58 -40.63 83.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -68.03 -46.6 70.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 190' ' ' LEU . 54.0 t80 -57.92 -47.08 83.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -75.63 -21.83 57.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 166' ' ' ASP . 0.9 OUTLIER -72.24 -44.24 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.46 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.9 m -74.18 -38.93 63.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.94 -43.47 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -0.14 32.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -92.85 -16.1 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 177' ' ' ALA . 1.7 tt0 172.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.381 1.051 . . . . 0.0 110.323 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 176' ' ' GLN . 7.4 pt20 -36.99 97.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -176.29 151.6 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.461 ' CB ' HG23 ' A' ' 181' ' ' VAL . 0.2 OUTLIER -161.56 171.23 18.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -15.79 17.16 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.56 1.162 . . . . 0.0 110.326 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 175.85 75.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.461 HG23 ' CB ' ' A' ' 178' ' ' SER . 59.5 t -62.3 -39.75 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -62.82 -49.22 75.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -67.19 -31.13 71.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -117.59 87.99 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.454 ' CB ' ' OE1' ' A' ' 187' ' ' GLU . . . -48.85 142.36 6.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.2 t -43.92 -58.4 2.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.454 ' OE1' ' CB ' ' A' ' 185' ' ' ALA . 2.7 pm0 -55.24 -30.22 59.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.4 OUTLIER -70.11 -37.19 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.4 mt -69.9 -46.29 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.464 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -57.14 -43.47 82.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.392 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 48.0 t -68.5 -48.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 188' ' ' THR . 0.1 OUTLIER -61.84 -38.42 88.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 34.1 t-20 -91.37 17.79 8.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -111.59 160.83 16.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.546 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 2.0 p-10 -42.11 163.44 0.13 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -49.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -49.62 -48.29 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.46 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 20.6 t -56.12 -35.64 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -56.69 -46.77 81.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 33.7 m -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.474 HG22 ' CB ' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.58 -34.96 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 191' ' ' VAL . 0.1 OUTLIER -69.86 -34.23 73.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -66.61 -39.95 88.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.8 -26.64 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -64.96 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.82 149.94 8.82 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.73 4.64 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.14 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.412 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.04 161.81 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 0.823 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 14.2 t -92.03 160.56 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 165' ' ' VAL . 0.4 OUTLIER -47.55 -39.98 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -37.46 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.482 ' CG ' HD21 ' A' ' 205' ' ' LEU . 0.1 OUTLIER -68.53 -46.79 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.63 1.206 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 22.0 mtt -63.82 -41.9 97.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.497 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.6 OUTLIER -67.76 -34.96 77.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.486 ' HB2' ' CD1' ' A' ' 205' ' ' LEU . . . -71.44 -36.95 71.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 33.0 t -61.47 -46.22 90.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -28.96 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.41 -27.51 67.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.3 137.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 71.88 165.87 7.8 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -37.69 98.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.0 170.53 20.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -145.24 47.11 0.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -165.11 100.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.51 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -56.22 98.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.21 -60.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.7 153.98 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 91.3 t -83.74 117.24 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.598 0.237 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.1 t -121.04 107.64 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.451 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.7 mm -81.89 -17.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.202 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.37 -31.83 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.73 -20.15 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.596 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -78.01 70.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 159.51 17.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.43 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.8 pt20 -91.89 96.9 10.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.55 -149.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -81.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -74.24 -15.94 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.87 111.42 1.89 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 163.33 35.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.3 t80 -69.62 -27.95 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.42 -32.56 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 4.0 t80 -67.8 -39.07 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.53 -46.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.77 -42.2 88.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -66.43 -42.52 87.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.501 ' N ' HG22 ' A' ' 153' ' ' ILE . 56.0 t80 -59.96 -47.19 86.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -74.28 -22.25 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -73.31 -44.53 58.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.372 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.451 ' CG2' HD13 ' A' ' 150' ' ' ILE . 52.7 m -74.0 -34.61 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.37 -40.07 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.45 63.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.15 16.34 25.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.0 OUTLIER -149.89 43.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 177' ' ' ALA . 63.0 tp60 -37.37 155.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 176' ' ' GLN . . . -38.63 155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.39 173.08 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.66 -18.76 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -129.12 25.14 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.34 -44.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -23.83 16.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -76.79 -31.98 57.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.2 106.7 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.383 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -59.72 115.51 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.9 p -43.15 -56.25 3.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.48 -37.36 48.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 192' ' ' GLN . 0.7 OUTLIER -67.36 -32.85 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.19 -46.06 36.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.571 ' CD2' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -55.28 -44.49 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.92 -46.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.8 tp60 -57.77 -43.09 85.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 36.8 t30 -78.14 0.97 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -93.48 157.48 16.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.388 1.055 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -47.04 172.27 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.388 1.73 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.424 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.15 -52.99 30.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 33.9 t -53.36 -38.1 62.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.01 -43.41 86.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 93.1 m -64.74 -40.29 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 197' ' ' ASP . 1.0 OUTLIER -63.59 -43.76 98.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.22 -26.78 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -39.81 66.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.4 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.484 ' CD2' ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -81.77 -53.67 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 149.11 132.12 2.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.64 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 168.92 39.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.408 1.068 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.484 ' CB ' ' CD2' ' A' ' 205' ' ' LEU . . . -81.17 159.9 24.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 0.735 . . . . 0.0 109.284 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 214' ' ' MET . 8.9 t -89.91 -171.14 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.417 ' N ' ' OG1' ' A' ' 210' ' ' THR . 0.1 OUTLIER -64.89 -48.51 73.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.21 -44.34 95.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.472 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -68.91 -46.01 69.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.571 ' CE ' ' CD2' ' A' ' 190' ' ' LEU . 39.2 mtp -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.595 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.0 ttt -70.85 -33.28 70.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -39.9 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.41 69.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.413 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 6.8 t -62.33 -40.07 95.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.263 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -26.51 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.92 -27.85 61.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -44.73 124.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.96 165.94 3.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -159.15 -83.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 112.67 3.62 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 175.99 84.97 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -69.19 95.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -70.66 167.25 19.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.201 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.64 151.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 230' ' ' VAL . 0.1 OUTLIER 179.76 114.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.271 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 229' ' ' ARG . 8.4 p 38.01 41.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 109.231 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 33.3 t -100.24 175.39 5.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 171' ' ' THR . 4.7 mm -71.62 -18.24 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.54 -29.22 68.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.48 -14.43 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.228 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.622 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -84.52 106.35 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.496 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -144.37 153.46 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 2.1 pt20 -83.26 94.8 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -53.78 -174.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -66.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -75.43 -17.6 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -72.42 127.18 90.47 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 170.33 20.64 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.602 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 77.1 t80 -70.32 -31.96 69.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -60.77 -45.9 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.09 -35.09 79.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 6.9 t80 -66.07 -40.25 90.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 18.3 t -69.73 -40.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.02 94.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.46 ' N ' HG23 ' A' ' 153' ' ' ILE . 52.5 t80 -58.62 -46.74 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.499 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -75.44 -21.38 58.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -72.74 -43.93 62.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.463 ' CG2' HD12 ' A' ' 150' ' ' ILE . 86.5 m -73.74 -40.39 63.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.7 -44.68 86.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -71.41 -5.99 36.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -95.67 -24.53 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 174' ' ' ALA . 0.8 OUTLIER 160.72 54.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.0 OUTLIER -37.88 154.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.343 1.027 . . . . 0.0 110.272 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.18 98.33 2.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.47 ' CB ' HG21 ' A' ' 181' ' ' VAL . 0.5 OUTLIER -122.6 128.98 51.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.39 -12.6 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 184' ' ' ALA . 1.0 OUTLIER -134.13 51.78 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.47 HG21 ' CB ' ' A' ' 178' ' ' SER . 40.9 t -56.66 -34.26 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -42.03 64.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.51 -11.03 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . 70.79 97.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -94.26 26.77 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -62.36 -79.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 186' ' ' THR . 0.2 OUTLIER -47.84 -30.24 3.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.418 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.03 -34.44 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 186' ' ' THR . 1.0 OUTLIER -73.34 -46.27 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.458 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 0.5 OUTLIER -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 187' ' ' GLU . 85.1 t -68.56 -45.6 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -38.17 89.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 12.9 t-20 -88.27 9.84 21.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -93.92 158.1 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.649 1.218 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -50.52 176.62 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -75.05 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.4 OUTLIER -51.1 -54.9 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 21.8 t -54.93 -39.86 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -47.06 85.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.4 m -61.5 -41.21 96.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 205' ' ' LEU . 0.5 OUTLIER -63.96 -44.65 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.459 ' CD2' HG23 ' A' ' 191' ' ' VAL . 0.4 OUTLIER -68.53 -23.06 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.46 -52.21 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.14 -18.01 61.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.474 ' CD1' ' CG ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -80.66 -68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.357 179.904 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 160.94 133.1 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.19 4.15 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.12 38.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' A' ' 205' ' ' LEU . . . -81.02 159.8 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 213' ' ' GLU . 10.1 t -90.17 155.94 18.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 8.3 tt -41.3 -34.08 0.46 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -46.9 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.233 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.474 ' CG ' ' CD1' ' A' ' 205' ' ' LEU . 0.5 OUTLIER -70.11 -37.01 75.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 4.9 mtm -64.36 -47.16 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.602 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ptt? -70.01 -29.85 67.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 216' ' ' THR . . . . . 0.435 ' N ' ' HG3' ' A' ' 215' ' ' MET . 0.9 OUTLIER -67.12 -40.08 86.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.354 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -71.79 -42.76 66.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 6.9 t -59.88 -38.75 83.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -25.68 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.85 -25.46 64.63 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 197' ' ' ASP . 1.0 OUTLIER -47.98 149.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -165.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 88.94 -119.86 5.55 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.99 17.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 77.89 143.61 2.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.09 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -158.58 147.19 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.598 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.39 -65.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.65 173.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.64 130.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.36 154.44 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.8 t -109.74 79.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.573 HD13 ' CZ ' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.55 -13.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -19.24 65.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.567 ' HA ' HH21 ' A' ' 154' ' ' ARG . 4.8 t0 -89.74 -15.09 33.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.642 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.6 OUTLIER -68.63 116.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.225 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.568 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 19.1 ptp180 -148.29 163.03 38.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.517 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.9 pt20 -92.99 95.21 9.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -55.31 -178.01 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -78.94 -15.64 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -77.54 129.26 77.65 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.94 38.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.6 t80 -65.96 -28.75 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -45.36 87.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.83 -37.71 86.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 154' ' ' ARG . 4.9 t80 -65.56 -42.69 91.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.93 -42.85 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -57.56 -42.15 82.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -44.45 90.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' A' ' 150' ' ' ILE . 50.8 t80 -58.55 -47.04 85.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -75.25 -20.94 58.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.53 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 150' ' ' ILE . 33.8 m -73.56 -40.05 64.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.5 -45.08 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.256 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -10.21 59.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -74.34 -21.01 59.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.6 OUTLIER -164.88 39.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 176' ' ' GLN . 5.1 pt20 -38.26 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -178.81 156.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.446 ' CB ' HG22 ' A' ' 181' ' ' VAL . 1.5 t -171.33 160.26 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.78 -13.04 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.04 70.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.446 HG22 ' CB ' ' A' ' 178' ' ' SER . 59.0 t -60.02 -38.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -54.62 -47.92 72.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.89 -17.82 52.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -72.98 140.32 47.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.467 ' HB3' ' CG2' ' A' ' 188' ' ' THR . . . -119.01 97.88 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.1 p -57.33 -53.92 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -52.65 -44.22 66.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 110.234 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.0 mt -67.26 -46.63 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 194' ' ' ALA . 1.1 tp -58.4 -43.68 88.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.454 HG21 ' CD2' ' A' ' 202' ' ' LEU . 62.0 t -65.73 -47.57 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.56 -39.1 93.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.9 t-20 -88.19 10.84 18.09 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 190' ' ' LEU . . . -102.53 166.71 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.19 166.68 0.64 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -44.81 62.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.5 t -54.24 -36.94 64.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.62 -46.98 85.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 88.2 m -62.14 -41.13 97.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -40.88 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.454 ' CD2' HG21 ' A' ' 191' ' ' VAL . 6.3 mp -72.18 -22.31 61.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -44.37 46.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.19 45.53 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 206' ' ' GLY . 0.1 OUTLIER -74.57 -73.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . 0.466 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . -176.19 137.34 3.62 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 56.89 4.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 129.41 48.62 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.452 ' HB2' ' CG ' ' A' ' 213' ' ' GLU . . . -80.07 168.53 19.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 211' ' ' LEU . 0.6 OUTLIER -65.81 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 -179.927 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.408 ' N ' HG23 ' A' ' 210' ' ' THR . 1.2 tm? -58.7 -59.29 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.4 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 1.8 mp0 -49.17 -31.67 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 209' ' ' ALA . 0.6 OUTLIER -72.78 -45.62 57.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -45.78 89.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -30.85 67.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 216' ' ' THR . . . . . 0.445 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -66.05 -40.4 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.431 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -72.07 -44.0 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 5.6 t -59.35 -39.04 81.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.94 -26.23 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.01 -22.63 68.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 2.2 p -44.09 155.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.77 -165.96 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . 0.417 ' N ' ' HD3' ' A' ' 224' ' ' PRO . . . 39.3 63.37 1.14 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 223' ' ' GLY . 18.5 Cg_endo -75.03 68.88 5.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 37.81 -109.28 0.09 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.425 1.078 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.1 67.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.562 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -70.27 177.33 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.63 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.33 143.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.61 133.91 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.2 t -107.55 65.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.57 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -66.41 -14.24 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -21.19 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.35 -18.95 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.7 OUTLIER -67.5 108.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.6 168.64 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 60.0 mt-30 -82.49 94.1 7.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.232 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.5 173.17 7.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -66.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -10.68 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -85.2 127.85 62.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.1 17.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 71.0 t80 -70.33 -32.89 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.79 -45.31 94.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.6 -35.76 80.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 9.8 t80 -65.36 -42.4 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.3 -44.25 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.361 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 170' ' ' LYS . 6.7 t70 -57.61 -41.89 82.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.471 ' CG ' HG13 ' A' ' 153' ' ' ILE . 1.5 tpp180 -64.68 -42.91 95.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 150' ' ' ILE . 49.1 t80 -58.39 -47.43 83.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 166' ' ' ASP . 0.3 OUTLIER -72.1 -44.12 63.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 150' ' ' ILE . 10.1 m -74.0 -37.82 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.03 -43.71 97.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -75.85 -2.04 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -84.84 -17.48 37.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' ALA . 6.8 tt0 179.08 51.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.8 OUTLIER -38.45 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -176.76 163.2 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.459 ' CB ' HG23 ' A' ' 181' ' ' VAL . 0.3 OUTLIER 179.3 172.18 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.88 -15.14 19.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.45 72.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 178' ' ' SER . 25.6 t -66.62 -43.03 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -55.48 -46.74 76.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -72.9 -31.6 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' VAL . . . -80.52 158.33 25.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -130.74 143.32 50.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.495 HG21 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER -66.01 -43.03 88.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.384 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 191' ' ' VAL . 4.2 tm-20 -68.76 -36.51 78.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -69.53 -41.46 75.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -69.31 -46.53 66.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.398 1.061 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.428 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 2.2 tp -57.1 -44.08 82.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 202' ' ' LEU . 81.7 t -66.85 -47.14 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.63 -38.23 90.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 17.9 t-20 -89.08 14.14 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -106.3 159.74 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -45.21 168.84 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.97 -45.68 64.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.7 t -54.69 -36.62 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.2 -45.13 88.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.9 m -63.82 -41.46 97.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.468 HG23 ' CB ' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.67 -43.48 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.18 -179.891 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -70.33 -26.48 63.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -42.15 76.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -81.65 -20.37 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' A' ' 213' ' ' GLU . 5.6 tp -59.12 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.86 145.32 4.96 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.395 1.06 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.27 4.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -79.97 161.87 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 4.7 t -79.3 -177.49 5.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.064 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.34 -51.88 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.21 -35.07 48.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.472 ' CG ' HD22 ' A' ' 205' ' ' LEU . 1.1 tp10 -70.41 -45.51 65.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 15.5 mtm -62.29 -42.06 99.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.606 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.3 OUTLIER -70.37 -34.1 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -39.12 89.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.352 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 201' ' ' ILE . . . -72.17 -40.53 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 7.4 t -62.44 -45.81 91.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -25.08 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.83 -23.14 64.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.168 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -44.32 138.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.49 0.759 . . . . 0.0 109.382 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -62.62 -166.4 0.6 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -140.88 -146.06 4.7 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -94.61 -62.23 1.04 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.64 118.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 0.817 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.37 173.87 6.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.077 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.74 111.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.391 1.057 . . . . 0.0 109.368 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -43.71 125.43 4.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.43 153.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 148' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.557 0.218 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.465 ' OG ' ' CD2' ' A' ' 151' ' ' LEU . 5.1 t -92.94 161.29 14.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.575 HD13 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.45 -13.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.465 ' CD2' ' OG ' ' A' ' 149' ' ' SER . 2.1 pp -68.12 -19.2 64.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -89.15 -15.47 33.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.613 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.6 OUTLIER -67.94 92.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 1.5 ttt85 -111.48 155.42 23.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.383 1.052 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 -100.66 101.03 11.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -74.53 165.96 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.91 59.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.88 135.34 45.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.09 39.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.6 t80 -66.69 -32.04 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -45.78 90.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.64 -35.41 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 34.6 t80 -66.86 -40.16 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.8 t -70.92 -41.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -57.98 -43.55 86.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -45.85 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' ' 150' ' ' ILE . 53.1 t80 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.475 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.5 m-85 -75.41 -21.49 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -68.62 -45.21 72.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 150' ' ' ILE . 34.4 m -75.09 -41.3 59.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.06 -50.12 74.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.416 ' N ' HD11 ' A' ' 172' ' ' LEU . 2.8 mtt-85 -65.32 -16.36 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -85.05 -31.54 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 174' ' ' ALA . 0.4 OUTLIER 162.79 53.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.456 ' HB2' ' CA ' ' A' ' 172' ' ' LEU . 0.6 OUTLIER -39.14 106.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.74 38.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.463 ' CB ' HG23 ' A' ' 181' ' ' VAL . 0.3 OUTLIER -163.04 149.35 12.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.44 -13.14 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.36 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 178' ' ' SER . 61.9 t -64.1 -43.8 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -74.96 -36.69 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.1 -1.98 35.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -160.51 97.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.31 166.32 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 89.6 m -52.16 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.475 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 2.8 tt0 -50.16 -32.16 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 0.0 110.231 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -30.99 68.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.9 mt -72.34 -46.49 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -59.59 -44.46 93.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 202' ' ' LEU . 42.3 t -67.86 -46.51 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.29 -38.18 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.229 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 189' ' ' LEU . 20.1 t-20 -86.22 7.46 25.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.181 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -93.53 155.62 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -48.36 175.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -75.07 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -51.19 57.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.77 -37.32 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -58.18 -47.33 83.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.7 m -62.53 -40.14 95.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -68.51 -32.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.477 ' CD2' HG23 ' A' ' 191' ' ' VAL . 1.7 mt -72.09 -31.91 66.52 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.464 1.103 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -72.75 -44.22 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.67 -19.19 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.474 ' CD1' ' CG ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -73.52 -76.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . 0.438 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . -178.64 138.0 3.46 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.02 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.2 43.73 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' A' ' 205' ' ' LEU . . . -80.61 166.9 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 210' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -75.65 175.13 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 210' ' ' THR . 2.7 tm? -59.21 -58.3 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 213' ' ' GLU . 0.0 OUTLIER -46.72 -31.21 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.474 ' CG ' ' CD1' ' A' ' 205' ' ' LEU . 0.9 OUTLIER -75.02 -44.76 46.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.475 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 43.6 mtm -62.71 -40.55 97.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 4.3 ttp -73.33 -34.47 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.198 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -39.61 94.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 201' ' ' ILE . . . -72.45 -46.34 55.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 6.3 t -56.38 -41.26 75.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.615 1.197 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -24.79 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.0 59.49 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.81 158.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -61.78 -166.1 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -136.4 136.71 8.56 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.09 25.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -155.92 121.62 1.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.608 1.192 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 227' ' ' LYS . 0.5 OUTLIER -171.1 173.32 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.506 0.768 . . . . 0.0 109.586 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 226' ' ' HIS . 0.0 OUTLIER -60.54 163.47 5.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.6 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.12 145.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.3 p -97.96 155.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.937 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' HD22 ' A' ' 151' ' ' LEU . 6.4 t -88.7 -178.95 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.956 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 171' ' ' THR . 9.9 mm -85.21 -22.03 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.48 HD22 ' CB ' ' A' ' 149' ' ' SER . 0.9 OUTLIER -65.47 -30.19 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -70.23 -17.36 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.608 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -83.4 105.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.473 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -137.37 164.72 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.582 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 1.0 OUTLIER -107.58 98.39 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -66.81 172.87 28.08 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.88 0.38 Allowed 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.434 1.755 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -82.82 -21.79 34.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.9 137.57 46.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 156.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.568 1.825 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 69.6 t80 -68.02 -33.4 74.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -45.56 94.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.582 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 8.3 t80 -65.12 -44.07 89.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.93 -42.62 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.64 -44.47 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -43.01 96.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.462 ' N ' HG21 ' A' ' 153' ' ' ILE . 50.9 t80 -58.62 -47.02 85.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.8 m-85 -75.52 -21.14 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.8 -44.15 61.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.469 ' CG2' HD13 ' A' ' 150' ' ' ILE . 76.0 m -73.86 -39.38 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -75.65 -11.13 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 175' ' ' GLU . . . -74.92 -16.92 60.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 1.9 mt-10 176.31 55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 172' ' ' LEU . 1.9 tt0 179.29 148.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.49 70.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.458 ' HA ' ' CG2' ' A' ' 181' ' ' VAL . 7.8 t 65.73 32.23 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.392 1.058 . . . . 0.0 109.932 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -20.02 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -178.37 44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 178' ' ' SER . 18.0 t -55.6 -41.24 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.49 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -92.95 -25.12 18.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -149.01 92.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.454 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -61.12 108.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.2 p -41.12 -58.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.167 . . . . 0.0 110.322 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -38.69 39.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.454 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.09 -34.28 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.417 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.5 mp -72.01 -46.44 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.447 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 1.1 tp -57.73 -43.56 85.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.71 -47.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -38.13 89.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 35.6 t-20 -86.83 10.03 17.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.412 ' HB1' ' NE2' ' A' ' 155' ' ' GLN . . . -98.21 155.05 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.2 OUTLIER -46.32 171.96 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.41 -47.57 62.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 22.6 t -55.12 -37.35 66.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.35 -46.64 85.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.8 m -62.4 -41.09 98.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.53 -41.97 93.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.05 -24.55 63.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.198 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 203' ' ' LYS . 5.4 mtpm? -74.34 -51.51 14.93 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.2 -19.01 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.472 HD11 ' CG ' ' A' ' 213' ' ' GLU . 0.2 OUTLIER -77.54 -78.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . 0.434 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . -167.89 131.8 2.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.107 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.22 4.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.35 43.83 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 213' ' ' GLU . . . -80.6 168.21 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.9 t -69.96 179.02 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -54.81 28.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -33.56 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.475 ' CG ' ' HB1' ' A' ' 209' ' ' ALA . 1.1 tt0 -69.25 -45.84 68.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.09 93.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.588 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.2 OUTLIER -72.73 -32.36 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -40.54 88.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -71.84 -43.6 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 161' ' ' PHE . 5.7 t -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.269 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -24.71 67.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.616 1.198 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.0 -26.35 58.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.8 154.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -62.96 -165.98 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -164.06 -157.09 9.18 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 74.26 4.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -86.68 -58.6 1.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.95 61.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.567 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.17 80.38 0.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 109.28 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.6 138.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.384 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.68 124.28 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.571 0.224 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.464 ' CB ' HD22 ' A' ' 151' ' ' LEU . 9.0 t -88.96 178.75 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.063 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' A' ' 171' ' ' THR . 3.0 mm -84.82 -21.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.062 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 149' ' ' SER . 0.7 OUTLIER -62.74 -35.18 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.89 -22.47 67.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.605 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -81.21 96.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 33.7 ptt180 -125.63 167.57 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.59 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.9 tt0 -108.08 102.68 11.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -87.41 169.23 39.23 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.448 1.092 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -40.39 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.424 1.749 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -81.05 -24.59 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.419 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 9.2 tt0 -84.87 133.8 42.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.5 Cg_endo -74.98 155.73 43.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 40.1 t80 -66.79 -34.56 78.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -60.75 -46.01 92.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -33.38 74.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.59 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.3 t80 -67.63 -42.04 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.93 -42.92 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.63 -44.63 85.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -44.43 93.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.429 ' N ' HG23 ' A' ' 153' ' ' ILE . 48.4 t80 -58.4 -47.09 85.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.7 m-85 -75.15 -20.81 59.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -72.34 -45.25 60.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.485 HG21 ' CD1' ' A' ' 150' ' ' ILE . 23.7 m -74.3 -37.99 63.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.06 -44.35 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -85.83 5.83 30.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -94.51 -21.64 18.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.2 OUTLIER -170.01 45.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 175' ' ' GLU . 3.2 tt0 -38.04 99.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.46 146.08 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.12 171.63 12.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.158 . . . . 0.0 109.997 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.93 -15.64 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 184' ' ' ALA . 0.1 OUTLIER 177.83 74.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.256 -179.899 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.58 -45.1 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.215 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -58.51 -52.33 66.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.99 -32.04 73.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 180' ' ' GLU . . . -79.8 157.29 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.467 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -115.93 113.17 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 t -43.81 -48.99 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.62 -37.1 77.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.467 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.38 -32.11 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.9 OUTLIER -72.34 -46.95 53.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.431 ' O ' ' OH ' ' A' ' 164' ' ' TYR . 1.8 tp -58.43 -44.36 89.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.515 ' CG2' ' CD2' ' A' ' 202' ' ' LEU . 49.2 t -68.26 -45.79 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.13 -37.92 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 0.1 OUTLIER -85.28 3.17 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 195' ' ' ASN . . . -97.06 159.75 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.9 OUTLIER -42.73 165.01 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.608 1.846 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.79 -44.96 63.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 201' ' ' ILE . 23.7 t -53.53 -35.4 60.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -43.95 76.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.2 m -69.44 -34.43 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 198' ' ' CYS . 44.9 mt -63.16 -41.79 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.211 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.515 ' CD2' ' CG2' ' A' ' 191' ' ' VAL . 5.7 mp -72.26 -34.22 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.16 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.236 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -85.79 -22.0 27.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 206' ' ' GLY . 0.0 OUTLIER -81.02 -69.18 0.62 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . 0.496 ' N ' ' CD2' ' A' ' 205' ' ' LEU . . . -178.97 129.09 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.16 4.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.82 43.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 213' ' ' GLU . . . -80.93 171.38 15.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 0.702 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 10.9 t -74.92 156.5 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.33 -43.31 10.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.81 -44.8 86.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.23 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.489 ' CG ' HD13 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -66.03 -42.25 89.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.2 mmm -61.76 -39.92 93.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.595 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.9 OUTLIER -71.05 -34.16 70.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -39.39 92.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.456 ' CB ' HD12 ' A' ' 205' ' ' LEU . . . -72.06 -43.05 65.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.521 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 6.9 t -59.67 -44.94 93.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 108.359 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -25.28 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.82 -23.89 65.87 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.449 1.093 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -46.65 130.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.355 0.679 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.72 166.09 3.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -177.66 -82.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 95.81 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 178.41 -136.15 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.411 1.069 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.64 152.31 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.806 . . . . 0.0 109.663 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.54 106.1 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.49 169.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.71 123.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.211 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 142.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.921 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 148' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.1 t -81.87 177.8 8.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.051 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.421 ' O ' ' HB ' ' A' ' 153' ' ' ILE . 3.6 mm -74.72 -19.87 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.2 -36.54 83.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.601 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -79.01 66.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -107.27 167.17 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 94.45 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -68.37 -169.49 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -78.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -9.26 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.45 112.88 10.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.83 15.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.037 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.2 t80 -69.43 -34.51 74.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -45.86 92.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.34 -32.96 74.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 3.5 t80 -68.43 -44.58 74.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.34 -46.06 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.95 -43.36 91.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.481 ' CG ' HG13 ' A' ' 153' ' ' ILE . 3.6 tpt180 -65.15 -43.43 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.495 ' N ' HG23 ' A' ' 153' ' ' ILE . 48.4 t80 -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.482 ' HA ' ' CD2' ' A' ' 172' ' ' LEU . 4.6 m-85 -74.85 -21.37 59.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -72.97 -44.65 60.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 148' ' ' THR . 54.3 m -74.24 -37.68 63.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.484 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.0 -49.17 76.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.403 ' N ' HD12 ' A' ' 172' ' ' LEU . 5.9 mtp180 -70.01 -6.05 30.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -77.8 -16.74 58.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.63 47.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.59 120.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.62 69.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.457 ' HA ' ' CG2' ' A' ' 181' ' ' VAL . 13.5 t 60.74 33.26 20.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.8 -13.0 60.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER 170.28 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 178' ' ' SER . 55.1 t -52.2 -39.89 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -62.73 -57.86 9.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.91 -20.88 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -91.63 150.38 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 188' ' ' THR . . . -119.79 88.85 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -72.67 -43.89 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.461 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -68.84 -38.37 79.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -65.39 -47.03 77.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.452 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -67.62 -45.83 74.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -41.84 64.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.467 ' CG1' HD11 ' A' ' 202' ' ' LEU . 24.4 t -73.51 -51.81 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.83 76.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 189' ' ' LEU . 5.6 t-20 -86.55 11.99 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -105.72 162.63 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -48.25 170.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.59 -52.21 41.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.4 t -54.04 -38.09 64.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -58.25 -43.97 88.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.39 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 73.6 m -65.23 -41.49 94.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 197' ' ' ASP . 0.5 OUTLIER -64.19 -37.31 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.366 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.467 HD11 ' CG1' ' A' ' 191' ' ' VAL . 5.6 mt -72.06 -31.82 66.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -68.1 -38.4 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.61 -29.24 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.2 OUTLIER -61.76 -85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.95 155.24 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.58 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.02 52.67 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.44 163.03 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.97 150.44 48.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -43.81 62.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -62.76 -34.29 76.93 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.01 -45.52 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 54.9 mtm -61.85 -42.01 98.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.589 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.8 ttp -68.26 -34.24 75.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -38.09 84.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 205' ' ' LEU . . . -72.02 -37.86 69.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 12.5 t -62.92 -44.37 96.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -26.17 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.25 -26.89 62.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 1.1 p -51.34 153.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.57 -165.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.438 1.086 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -144.51 141.77 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.61 20.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -55.62 -176.73 0.21 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -62.87 146.08 53.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 0.741 . . . . 0.0 109.618 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 134.04 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.625 1.203 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . 179.64 163.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.85 155.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.68 ' C ' HG21 ' A' ' 171' ' ' THR . 4.8 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.688 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.0 mm -78.12 -18.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.28 -34.83 79.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -19.67 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.834 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.3 98.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.84 170.97 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 3.3 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.0 t80 -70.54 -26.99 63.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -46.6 79.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.42 -34.89 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 12.0 t80 -66.46 -43.17 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.76 -43.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.55 -43.88 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CD ' HG13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -63.54 -44.19 94.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.834 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.3 t80 -58.29 -47.07 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.782 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.62 -20.86 59.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -71.6 -45.26 62.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.688 ' HB ' HD13 ' A' ' 150' ' ' ILE . 32.7 m -74.55 -38.17 62.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.798 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.5 -45.0 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.7 6.09 25.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.5 tm-20 -49.02 -37.71 21.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.71 -34.86 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -69.95 -46.41 65.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -58.0 -45.05 87.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.778 HG22 HD13 ' A' ' 202' ' ' LEU . 89.7 t -65.91 -46.4 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -65.03 -37.51 87.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 16.6 t-20 -88.01 6.29 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.51 157.97 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -47.44 174.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.384 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.97 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.23 -54.89 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.7 t -54.46 -37.83 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.655 1.222 . . . . 0.0 108.32 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.71 -44.24 90.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 79.4 m -65.0 -41.65 95.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.352 1.032 . . . . 0.0 110.437 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.99 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -38.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.778 HD13 HG22 ' A' ' 191' ' ' VAL . 5.9 mt -72.04 -33.18 67.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -66.98 -35.66 80.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -32.75 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.899 HD23 ' HB1' ' A' ' 209' ' ' ALA . 0.2 OUTLIER -53.94 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.3 160.3 22.22 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.383 1.052 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 56.69 4.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.75 54.66 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.899 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -79.59 160.24 26.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -79.96 155.04 27.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 210' ' ' THR . 19.7 mt-10 -61.5 -35.07 76.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.424 1.078 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 205' ' ' LEU . 5.2 tp10 -73.63 -38.21 65.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 68.0 mtm -65.45 -48.16 73.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -31.12 68.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 216' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 215' ' ' MET . 1.2 m -67.43 -39.12 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.99 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.23 -41.09 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.438 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.6 t -61.71 -45.35 94.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -27.13 68.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.21 -25.41 68.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.8 ' O ' HG21 ' A' ' 171' ' ' THR . 4.7 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.727 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.0 mm -88.58 -20.69 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -30.72 71.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.97 -19.78 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -81.59 106.84 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.506 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 14.0 ttt-85 -148.3 151.58 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.2 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 68.8 t80 -70.35 -30.44 67.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.67 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.96 -33.34 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 7.0 t80 -68.06 -41.42 82.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.3 t -67.49 -43.73 87.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.8 -44.61 86.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.07 -43.98 93.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.4 t80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.337 1.023 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.807 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -74.5 -21.84 59.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -73.14 -44.59 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.8 HG21 ' O ' ' A' ' 149' ' ' SER . 87.8 m -73.98 -35.27 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.07 -44.77 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -26.31 60.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.285 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.9 60.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -30.11 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.8 mt -70.73 -46.89 62.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.709 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -59.06 -43.36 91.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 1.02 HG22 HD23 ' A' ' 202' ' ' LEU . 88.0 t -67.82 -46.85 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.85 -37.95 89.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.45 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -87.75 6.59 34.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -98.7 156.12 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -50.75 174.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.95 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.576 1.829 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 201' ' ' ILE . 2.2 m-20 -50.9 -54.53 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.1 t -54.3 -37.89 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -46.18 89.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.0 m -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 1.011 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -38.31 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.02 HD23 HG22 ' A' ' 191' ' ' VAL . 4.7 mp -71.88 -32.13 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -68.37 -36.88 79.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.43 -28.21 41.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -63.97 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.88 156.18 15.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 142.78 53.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.594 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.52 161.22 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.9 OUTLIER -68.77 149.98 48.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 110.364 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.404 HD21 ' OH ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -51.45 -45.23 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 210' ' ' THR . 2.9 tm-20 -64.68 -34.49 78.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.512 ' CG ' HD21 ' A' ' 205' ' ' LEU . 2.1 tp10 -68.08 -42.88 79.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.5 mtp -63.25 -43.56 97.65 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.367 1.042 . . . . 0.0 111.021 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.614 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ttm -68.79 -33.39 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.09 85.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.011 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -71.98 -37.66 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.063 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.467 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.8 t -66.84 -43.63 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 108.357 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -61.81 -26.9 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.59 -23.06 71.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.764 ' O ' HG21 ' A' ' 171' ' ' THR . 5.3 t . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.623 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.6 mm -79.59 -18.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.9 -30.12 70.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.498 ' C ' HD12 ' A' ' 153' ' ' ILE . 40.2 t0 -72.17 -12.67 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.854 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -89.12 96.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 169.28 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.563 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 46.8 t80 -68.33 -33.82 74.99 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -59.73 -45.8 91.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.58 -37.03 84.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 11.7 t80 -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.428 HG21 HD21 ' A' ' 211' ' ' LEU . 3.2 t -67.0 -43.14 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -57.65 -42.18 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.854 ' CA ' HG21 ' A' ' 153' ' ' ILE . 46.7 t80 -58.44 -47.55 83.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.758 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.6 m-85 -76.12 -20.97 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -72.71 -44.62 61.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.764 HG21 ' O ' ' A' ' 149' ' ' SER . 68.1 m -74.43 -38.19 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.54 -50.27 73.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.541 ' N ' HD12 ' A' ' 172' ' ' LEU . 43.0 mtp85 -68.98 -7.97 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.2 pm0 -47.49 -30.3 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.407 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.4 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.61 -46.51 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -57.73 -44.66 86.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.887 HG22 HD13 ' A' ' 202' ' ' LEU . 44.5 t -65.69 -45.94 90.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 15.7 t-20 -87.73 4.72 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.46 157.63 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -48.22 175.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.15 -54.57 24.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 202' ' ' LEU . 34.5 t -55.44 -37.05 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.355 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.4 -46.46 86.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 65.7 m -63.11 -43.06 99.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 1.052 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -63.82 -37.8 80.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.887 HD13 HG22 ' A' ' 191' ' ' VAL . 7.6 mt -72.1 -32.75 67.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -66.1 -36.59 83.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.63 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.942 HD11 ' HB2' ' A' ' 217' ' ' ALA . 1.5 mp -46.76 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.06 157.82 18.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.97 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.78 47.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.539 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.17 157.81 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 2.3 t -83.45 163.01 20.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.668 ' C ' HD13 ' A' ' 211' ' ' LEU . 1.9 tm? -53.63 -50.31 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -34.62 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.465 ' C ' HD21 ' A' ' 205' ' ' LEU . 2.2 tp10 -70.71 -42.68 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.469 ' HE2' HD23 ' A' ' 190' ' ' LEU . 26.1 mtp -64.37 -43.43 94.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 10.1 ttt -69.17 -35.37 76.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -38.54 86.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.457 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.052 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -36.74 68.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.624 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.6 t -67.93 -37.85 82.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -29.78 70.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -72.69 -26.24 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.641 ' O ' HG21 ' A' ' 171' ' ' THR . 8.0 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.546 ' HA ' HD13 ' A' ' 153' ' ' ILE . 8.4 mm -77.2 -18.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.23 -32.99 74.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.431 ' C ' HD12 ' A' ' 153' ' ' ILE . 19.2 t0 -68.47 -15.54 63.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.853 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.96 97.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.47 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.0 ptt180 -125.14 170.02 11.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.585 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tt0 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.207 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 34.7 t80 -69.48 -30.01 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.0 -45.78 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.2 t80 -66.29 -43.02 87.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.601 1.188 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.79 -42.48 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -57.95 -42.99 86.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -44.72 85.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.853 ' CA ' HG21 ' A' ' 153' ' ' ILE . 41.3 t80 -58.31 -47.99 81.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.781 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.6 -20.58 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -72.66 -44.8 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.641 HG21 ' O ' ' A' ' 149' ' ' SER . 95.4 m -74.78 -37.75 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.787 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.51 -45.15 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.78 4.8 20.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 191' ' ' VAL . 18.4 pm0 -67.03 -28.63 68.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.418 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.21 -41.36 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.4 OUTLIER -73.47 -45.79 52.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.645 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.7 OUTLIER -61.13 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 187' ' ' GLU . 46.5 t -69.74 -46.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' LEU . 12.0 t-20 -91.25 15.3 12.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.82 164.72 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.436 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -52.7 174.6 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.02 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.85 -54.25 25.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.8 t -54.45 -37.74 65.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 108.394 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 199' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -58.59 -46.59 86.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.5 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.447 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.963 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.01 -35.36 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 202' ' ' LEU . 0.0 OUTLIER -69.6 -34.3 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -39.12 84.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.11 45.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.844 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -65.6 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.21 149.74 7.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 57.32 4.5 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.97 44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.082 . . . . 0.0 111.054 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.58 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.39 162.8 24.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 9.3 t -88.83 161.59 16.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.2 OUTLIER -54.31 -33.67 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -39.88 94.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.571 ' CG ' HD21 ' A' ' 205' ' ' LEU . 1.7 tp10 -75.35 -37.14 60.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.13 -46.21 78.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -72.25 -32.58 66.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.319 1.012 . . . . 0.0 110.985 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 216' ' ' THR . . . . . 0.444 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -67.26 -38.96 85.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.963 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.32 -42.37 65.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.582 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.1 t -58.49 -41.73 85.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.82 -25.37 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.38 1.05 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.56 -29.88 57.24 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.697 ' C ' HG21 ' A' ' 171' ' ' THR . 8.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.773 HD13 ' CG2' ' A' ' 171' ' ' THR . 4.1 mm -82.41 -18.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.672 1.232 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.04 -36.73 84.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.47 -21.53 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.827 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -81.54 99.73 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.406 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 2.1 ptt180 -129.34 167.82 17.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.8 tt0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.405 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' A' ' 218' ' ' CYS . 18.5 t80 -66.76 -23.44 66.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.92 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -65.71 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 16.5 t80 -66.39 -43.17 86.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 211' ' ' LEU . 3.1 t -67.39 -43.15 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 170' ' ' LYS . 1.2 m-20 -59.37 -42.09 90.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -67.86 -44.89 76.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.827 ' CA ' HG21 ' A' ' 153' ' ' ILE . 43.5 t80 -58.68 -47.61 83.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.734 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -76.22 -21.1 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 166' ' ' ASP . 18.1 mtpt -71.99 -44.59 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.773 ' CG2' HD13 ' A' ' 150' ' ' ILE . 27.6 m -74.93 -39.01 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.38 -50.25 73.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.529 ' N ' HD12 ' A' ' 172' ' ' LEU . 3.4 mtm180 -66.34 -9.74 36.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.733 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -43.17 27.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 8.6 t -65.76 -36.77 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.8 OUTLIER -72.9 -46.94 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -59.76 -43.5 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 1.081 HG22 HD13 ' A' ' 202' ' ' LEU . 39.6 t -68.65 -47.14 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.3 -38.23 90.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 0.2 OUTLIER -88.16 11.51 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.415 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -101.6 156.63 17.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.466 ' ND2' ' HD2' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -48.41 175.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.239 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.466 ' HD2' ' ND2' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.96 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -51.06 -55.16 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.91 -38.04 67.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.03 -45.26 91.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 95.3 m -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.953 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.77 -37.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.081 HD13 HG22 ' A' ' 191' ' ' VAL . 10.4 mt -69.41 -34.84 75.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -36.3 79.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.41 -25.79 46.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.811 HD23 ' HB1' ' A' ' 209' ' ' ALA . 0.3 OUTLIER -58.24 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.31 154.7 11.98 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 56.66 4.37 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.525 1.803 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.42 45.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.811 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -80.42 159.22 25.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.3 t -93.2 160.01 15.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 165' ' ' VAL . 0.6 OUTLIER -52.22 -37.29 54.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.57 -46.73 89.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.624 ' HG3' HD21 ' A' ' 205' ' ' LEU . 2.1 tp10 -63.92 -36.63 84.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 4.4 mtt -63.05 -43.63 98.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 215' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.69 -35.39 77.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -37.5 85.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.953 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.16 -38.53 69.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.588 ' O ' HG12 ' A' ' 221' ' ' VAL . 10.7 t -63.87 -41.26 97.8 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.504 1.127 . . . . 0.0 108.363 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -28.38 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.75 -27.74 64.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 O-C-N 124.561 0.801 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.695 ' C ' HG21 ' A' ' 171' ' ' THR . 33.2 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.635 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.5 mm -79.6 -26.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -32.45 71.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.411 ' C ' HD12 ' A' ' 153' ' ' ILE . 1.0 OUTLIER -67.33 -19.4 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.404 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.82 99.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.529 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -125.52 168.59 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 58.6 t80 -67.78 -30.52 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -61.45 -45.78 92.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.231 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -33.49 75.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 11.0 t80 -67.64 -41.16 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.56 -43.03 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.47 -45.88 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -43.79 98.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.3 t80 -58.52 -47.19 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.69 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.76 -20.13 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -71.71 -45.32 62.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.735 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 76.4 m -75.41 -39.36 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -48.18 79.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.209 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.467 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.61 -11.63 26.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 2.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 188' ' ' THR . 15.6 pm0 -75.84 -32.61 59.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.6 OUTLIER -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.34 -46.95 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.471 ' N ' ' CE2' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -57.3 -44.28 83.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.232 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' A' ' 194' ' ' ALA . 36.6 t -70.16 -47.62 66.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -60.23 -38.09 82.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.3 OUTLIER -89.76 15.53 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -91.65 165.58 13.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.409 1.068 . . . . 0.0 109.399 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.481 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -54.13 176.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.99 -52.83 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.3 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.02 -36.86 65.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -57.62 -45.8 84.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.3 m -63.4 -42.15 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.968 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.88 -37.09 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 202' ' ' LEU . 0.3 OUTLIER -72.39 -34.36 67.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -37.8 88.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -80.08 -28.38 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.739 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -66.68 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 170.62 155.01 9.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 57.63 4.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.63 54.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.739 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.97 160.01 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.87 155.96 40.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -50.37 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -35.44 77.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.652 ' HG3' HD21 ' A' ' 205' ' ' LEU . 10.1 tp10 -68.23 -44.88 74.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.213 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 19.3 mtm -63.11 -41.46 99.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.25 -33.37 71.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -39.3 85.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.21 -39.03 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.442 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.7 t -64.41 -45.43 87.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.54 71.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 197' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.573 ' C ' HG21 ' A' ' 171' ' ' THR . 3.6 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.836 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.1 mm -79.13 -19.32 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.89 -37.82 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.98 -21.21 65.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.225 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.845 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -82.79 92.56 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.08 169.97 14.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.118 . . . . 0.0 110.22 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 56.2 t80 -70.34 -27.17 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -66.59 -46.58 75.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.57 -40.27 92.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.433 ' OH ' ' O ' ' A' ' 190' ' ' LEU . 5.1 t80 -62.8 -43.18 99.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.693 HG11 HD11 ' A' ' 211' ' ' LEU . 4.1 t -63.89 -41.85 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -42.81 83.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.24 -42.87 96.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.845 ' CA ' HG21 ' A' ' 153' ' ' ILE . 52.9 t80 -58.2 -47.62 82.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.839 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -74.45 -21.52 59.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.92 -44.63 61.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.836 ' CG2' HD13 ' A' ' 150' ' ' ILE . 45.4 m -74.62 -35.85 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.579 1.175 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -56.98 -45.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -62.86 -13.9 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.364 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -51.55 -40.14 59.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.203 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -29.8 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 110.426 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.39 -47.36 61.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.651 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -58.7 -43.52 90.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.584 1.178 . . . . 0.0 109.34 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 202' ' ' LEU . 55.1 t -67.53 -46.81 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.89 -40.3 96.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.72 7.97 18.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -100.81 159.56 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.3 OUTLIER -46.34 171.41 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 3.7 m-20 -52.58 -49.49 64.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.5 t -54.0 -37.05 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -58.1 -43.92 87.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.412 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.5 m -65.65 -41.57 92.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.959 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.95 -38.93 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 191' ' ' VAL . 4.3 mt -69.37 -33.73 73.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.48 -34.93 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.08 -28.75 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -58.73 -87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.27 152.43 9.95 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.591 1.182 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 56.93 4.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.408 1.741 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.56 44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.24 161.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 15.0 t -89.98 152.67 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.693 HD11 HG11 ' A' ' 165' ' ' VAL . 8.5 tt -45.81 -36.66 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -44.36 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.453 ' HG2' ' CD2' ' A' ' 205' ' ' LEU . 0.6 OUTLIER -67.68 -42.11 82.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 2.7 mtt -63.14 -42.14 99.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.586 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.4 ttt -69.31 -35.11 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -37.75 83.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.959 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.51 -37.92 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.608 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.5 t -63.54 -41.97 98.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 108.333 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -24.52 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.45 -32.98 45.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.422 1.076 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 109.235 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.552 ' O ' HG21 ' A' ' 171' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.722 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.8 mm -77.96 -16.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -67.0 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.401 ' C ' HD12 ' A' ' 153' ' ' ILE . 2.5 t70 -70.01 -15.42 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.832 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.23 90.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.455 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.1 ptt85 -117.58 163.64 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.096 -0.386 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD1' ' SG ' ' A' ' 218' ' ' CYS . 20.2 t80 -67.4 -28.79 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -65.12 -46.79 79.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.6 -34.43 76.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 17.7 t80 -65.76 -42.03 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 8.6 t -68.86 -41.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.91 -41.49 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -44.76 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.832 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.2 t80 -58.82 -47.26 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.66 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -76.19 -21.33 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -72.57 -44.56 61.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.722 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.4 m -73.67 -38.59 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.82 -45.21 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.61 1.22 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.449 ' HG1' ' HE1' ' A' ' 168' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.568 0.223 . . . . 0.0 110.407 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.8 tp10 -64.31 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -39.73 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.445 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.25 -46.3 67.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.5 tp -56.89 -46.5 81.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.629 HG22 HD13 ' A' ' 202' ' ' LEU . 63.1 t -66.09 -45.13 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.53 -37.22 86.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.531 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -90.28 6.01 44.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -94.54 156.29 16.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.485 ' ND2' ' HD2' ' A' ' 196' ' ' PRO . 0.8 OUTLIER -45.72 169.73 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.485 ' HD2' ' ND2' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.02 -52.1 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 201' ' ' ILE . 5.0 m-20 -51.13 -49.23 61.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.6 t -54.24 -37.21 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 108.247 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.8 m -64.36 -40.92 96.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.89 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -65.11 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.629 HD13 HG22 ' A' ' 191' ' ' VAL . 8.1 mt -72.39 -27.8 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -70.21 -44.82 67.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.57 -36.7 60.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.88 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -56.82 -72.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.774 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 177.41 141.74 4.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.29 4.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.756 . . . . 0.0 111.021 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 130.34 46.25 0.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.88 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -75.73 167.65 21.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.63 174.34 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.54 -33.93 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 205' ' ' LEU . 0.8 OUTLIER -71.92 -42.88 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 187' ' ' GLU . 2.3 mmt -63.73 -42.19 97.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.523 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 19.4 mtp -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -40.55 94.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.89 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -46.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.589 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 4.4 t -57.58 -36.16 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -25.81 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.73 -24.51 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.215 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.741 ' C ' HG21 ' A' ' 171' ' ' THR . 4.8 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' A' ' 171' ' ' THR . 8.1 mm -73.67 -20.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -38.54 90.86 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.88 -24.77 66.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.619 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.1 mp -77.09 103.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 166.99 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.231 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 1.6 mt-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.1 t80 -66.24 -34.86 78.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -59.81 -45.44 92.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.83 -33.48 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.471 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 16.9 t80 -68.84 -38.16 79.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.78 -45.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.55 -43.63 84.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -44.51 90.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.59 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.4 t80 -58.33 -47.44 83.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.675 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.68 -21.3 59.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -72.74 -44.78 61.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.741 HG21 ' C ' ' A' ' 149' ' ' SER . 47.8 m -74.39 -37.24 63.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.815 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.44 -46.73 83.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -74.07 -6.08 45.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.282 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.3 pt-20 -47.53 -29.08 2.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.189 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -70.93 -38.18 72.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.16 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 189' ' ' LEU . 0.2 OUTLIER -71.77 -46.3 58.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.21 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.57 -44.0 93.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 187' ' ' GLU . 78.2 t -67.33 -46.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.53 -38.25 90.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.368 1.042 . . . . 0.0 110.245 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.435 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -86.4 7.71 24.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.34 158.02 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -47.18 172.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.03 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 21.0 m-20 -52.61 -49.29 65.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.0 t -54.23 -37.16 64.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 108.365 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -58.17 -46.51 85.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 64.6 m -62.74 -41.01 98.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 1.014 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -66.21 -36.29 77.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.469 1.105 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.752 HD23 HD22 ' A' ' 205' ' ' LEU . 0.5 OUTLIER -72.05 -27.64 62.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -72.54 -47.9 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.99 -25.66 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -66.89 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.678 ' H ' HD23 ' A' ' 205' ' ' LEU . . . 179.84 141.02 4.42 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.581 1.176 . . . . 0.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 131.78 49.34 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.888 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.38 167.84 19.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 13.1 t -75.95 159.0 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.7 OUTLIER -47.08 -43.47 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.75 -44.01 85.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.71 ' HB3' ' HB1' ' A' ' 209' ' ' ALA . 0.8 OUTLIER -67.6 -40.08 84.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 6.7 mtt -62.92 -42.83 99.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.576 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.76 -31.68 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 110.962 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -40.04 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.014 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.11 -46.27 57.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.431 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.3 t -55.2 -42.52 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.335 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.8 -24.67 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.03 -22.93 64.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.569 ' C ' HG21 ' A' ' 171' ' ' THR . 8.5 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.768 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -78.92 -18.49 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.77 -34.18 77.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.439 ' C ' HD12 ' A' ' 153' ' ' ILE . 4.4 t70 -67.1 -15.62 63.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.829 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -86.9 78.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.5 168.44 13.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 15.2 t80 -70.55 -32.49 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.71 -45.14 95.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.77 -33.31 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.449 ' HE1' HD12 ' A' ' 190' ' ' LEU . 3.5 t80 -67.78 -41.96 82.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.73 -45.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.212 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -58.84 -43.79 90.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.49 -44.06 79.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.829 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.6 t80 -58.35 -48.12 81.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.854 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.62 -21.95 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -73.15 -44.36 60.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.768 ' CG2' HD13 ' A' ' 150' ' ' ILE . 96.5 m -74.12 -36.48 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -56.95 -46.83 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.412 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 172' ' ' LEU . 15.0 mtt85 -77.29 1.06 19.84 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.406 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -33.81 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -35.95 73.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.8 mt -74.09 -46.86 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.784 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.62 -41.98 82.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.981 HG22 HD13 ' A' ' 202' ' ' LEU . 24.6 t -73.06 -47.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.28 -46.66 89.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 8.2 t30 -77.14 0.42 21.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.16 163.13 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -45.02 168.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.065 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -52.93 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.406 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.7 OUTLIER -51.37 -51.0 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.44 ' O ' HD12 ' A' ' 202' ' ' LEU . 12.0 t -54.28 -37.31 64.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.75 88.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.383 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.6 m -65.08 -41.61 94.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.951 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.78 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.981 HD13 HG22 ' A' ' 191' ' ' VAL . 3.9 mt -69.56 -31.47 69.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -39.64 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.248 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.8 62.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.8 OUTLIER -52.36 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.44 155.4 12.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.689 1.243 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 57.81 4.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 45.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.647 1.217 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.66 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -79.54 158.21 27.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -91.65 152.68 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.43 HD21 ' CZ ' ' A' ' 169' ' ' TYR . 2.9 mp -44.42 -37.0 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.54 -43.76 98.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.526 ' HG3' HD21 ' A' ' 205' ' ' LEU . 4.2 tp10 -68.8 -42.19 77.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.465 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 2.7 mtt -62.66 -43.01 99.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.563 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -68.74 -35.58 77.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -38.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.951 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.29 -36.4 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.501 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -66.23 -41.99 89.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.88 -25.6 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.58 -28.25 59.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.737 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.504 ' C ' HG21 ' A' ' 171' ' ' THR . 9.3 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.742 HD13 ' HB ' ' A' ' 171' ' ' THR . 2.6 mm -73.09 -19.23 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.61 -36.85 85.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.209 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.7 -21.71 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.633 1.208 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -80.94 100.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.42 164.23 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.615 ' OE1' ' HB1' ' A' ' 194' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.9 t80 -67.48 -36.02 80.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.51 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.64 -35.62 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.72 -40.75 84.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.59 -44.11 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -57.43 -44.83 85.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.92 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 51.2 t80 -58.14 -47.44 83.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.814 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.0 m-85 -73.93 -21.31 60.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -72.4 -45.02 61.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.742 ' HB ' HD13 ' A' ' 150' ' ' ILE . 75.7 m -74.43 -36.42 63.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.34 -48.54 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.475 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -79.83 3.49 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.774 HG23 ' HE1' ' A' ' 168' ' ' PHE . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.4 -39.46 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -35.41 80.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 186' ' ' THR . 4.1 mt -67.54 -46.93 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.6 tp -58.02 -42.8 86.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.503 HG22 HD22 ' A' ' 202' ' ' LEU . 38.3 t -65.97 -48.98 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.049 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.93 92.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 189' ' ' LEU . 17.5 t-20 -88.14 12.92 12.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.398 1.061 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -108.03 148.46 29.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.2 OUTLIER -42.18 164.76 0.1 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.345 1.028 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.06 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.567 1.824 . . . . 0.0 110.986 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -45.98 45.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 44.3 t -58.41 -36.64 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -47.03 84.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -42.23 98.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.968 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -41.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.387 1.054 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.599 HD12 HD22 ' A' ' 205' ' ' LEU . 4.2 tp -69.14 -25.19 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -71.17 -47.62 56.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.89 -19.44 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.388 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.89 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.2 OUTLIER -84.94 -72.55 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.89 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 179.85 131.62 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.47 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.498 1.788 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.94 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.824 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.48 169.25 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 0.748 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 159.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -49.81 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.93 -31.75 68.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.836 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.9 OUTLIER -67.94 -45.29 74.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 53.3 mtm -63.61 -43.82 95.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.566 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.4 ttp -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.06 -40.59 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -70.35 -39.37 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.617 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.1 t -62.54 -43.7 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 108.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -25.34 67.25 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.57 -25.97 62.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.72 ' C ' HG21 ' A' ' 171' ' ' THR . 6.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.958 ' HA ' HD13 ' A' ' 153' ' ' ILE . 5.8 mm -78.7 -16.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -27.78 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.1 -7.07 53.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.958 HD13 ' HA ' ' A' ' 150' ' ' ILE . 3.0 mp -94.12 97.49 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 7.2 ttt180 -128.58 162.42 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.579 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 38.9 t80 -55.13 -31.4 61.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -62.1 -45.48 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.27 -36.97 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 12.4 t80 -64.52 -41.65 96.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.8 -42.19 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.57 -41.6 81.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -66.74 -44.91 80.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.808 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.3 t80 -58.84 -47.65 84.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.785 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -76.25 -20.19 57.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.357 1.036 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -46.26 57.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.751 ' CG2' HD13 ' A' ' 150' ' ' ILE . 31.5 m -75.96 -33.05 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -55.09 -39.47 69.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -58.2 -21.15 46.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.372 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.727 HG23 ' HE1' ' A' ' 168' ' ' PHE . 1.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 191' ' ' VAL . 2.0 tm-20 -53.45 -47.05 70.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.6 mt -72.57 -47.03 51.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.643 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.7 tp -59.35 -44.4 92.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.987 HG13 HD13 ' A' ' 202' ' ' LEU . 58.4 t -68.9 -44.69 81.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -37.59 87.67 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 15.1 t-20 -88.1 6.63 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -96.52 158.62 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.475 ' ND2' ' HD2' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -49.35 175.51 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.427 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.475 ' HD2' ' ND2' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -74.96 -52.94 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.43 1.752 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 201' ' ' ILE . 1.5 m-20 -51.48 -54.55 25.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.63 -37.3 65.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.504 1.127 . . . . 0.0 108.36 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -58.21 -44.82 88.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.7 m -64.91 -41.91 95.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.976 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.1 -35.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.09 . . . . 0.0 109.356 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.987 HD13 HG13 ' A' ' 191' ' ' VAL . 6.9 mt -70.11 -35.24 73.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -68.45 -35.52 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -27.97 43.18 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -54.84 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 173.75 154.93 11.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.89 4.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.62 45.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.681 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -78.85 159.93 27.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 0.781 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.3 t -91.28 160.6 15.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.467 HD21 ' OH ' ' A' ' 169' ' ' TYR . 1.5 mm? -51.43 -40.48 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.87 -39.74 86.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.506 ' HG3' HD21 ' A' ' 205' ' ' LEU . 3.2 tp10 -70.27 -38.54 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 1.2 mtt -65.06 -44.34 89.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.579 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 23.3 ttp -70.92 -34.19 71.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -39.0 86.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.976 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.35 -39.68 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.528 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.8 t -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.61 67.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.209 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.46 -29.33 55.96 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.691 ' OG ' HD23 ' A' ' 151' ' ' LEU . 2.2 t . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.632 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.9 mm -80.93 -16.69 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.691 HD23 ' OG ' ' A' ' 149' ' ' SER . 1.3 pp -67.33 -29.47 69.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.434 ' C ' HD12 ' A' ' 153' ' ' ILE . 20.8 t0 -73.8 -13.53 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.4 105.99 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.4 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -140.02 167.1 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 72.8 t80 -70.51 -23.58 62.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -67.37 -46.62 72.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -35.47 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.525 ' CG ' ' HB2' ' A' ' 155' ' ' GLN . 11.2 t80 -65.65 -47.08 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.19 -43.56 96.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -58.0 -43.26 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -44.29 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 53.8 t80 -58.25 -47.07 84.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.642 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.2 -21.71 58.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -44.37 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.649 HG21 ' O ' ' A' ' 149' ' ' SER . 92.4 m -73.89 -39.54 63.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.16 -47.09 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -9.46 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.697 ' O ' HG23 ' A' ' 191' ' ' VAL . 19.8 tp10 -58.5 -38.49 77.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.3 mt -69.59 -47.27 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.199 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -57.56 -44.14 85.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 187' ' ' GLU . 85.0 t -66.53 -47.15 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.83 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -92.15 17.42 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -114.08 155.47 25.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.483 ' ND2' HE22 ' A' ' 155' ' ' GLN . 5.2 p-10 -41.38 162.17 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.01 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.14 -46.51 45.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.454 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 49.3 t -57.45 -36.27 71.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -63.12 -42.67 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.957 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.27 -36.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.409 HD13 HG22 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -69.56 -33.01 72.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -67.31 -41.21 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.36 54.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -66.71 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.88 154.81 13.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.38 4.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.58 55.07 0.06 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.539 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.42 165.87 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 0.723 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -74.24 152.8 39.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.333 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.91 -44.68 60.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 210' ' ' THR . 1.4 tt0 -61.26 -33.88 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.516 ' HG2' HD21 ' A' ' 205' ' ' LEU . 3.3 tt0 -72.19 -42.42 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -64.76 -47.21 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.609 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.4 ptt? -68.3 -31.64 71.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.1 m -67.83 -38.74 83.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.957 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -71.87 -38.55 70.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.581 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.9 t -63.04 -47.03 84.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -62.02 -29.59 70.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.18 -26.78 69.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.622 ' C ' HG21 ' A' ' 171' ' ' THR . 6.4 t . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.807 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.1 mm -79.95 -20.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.08 -40.27 93.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.52 -24.7 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.827 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -80.88 96.61 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.192 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -134.57 170.68 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 16.9 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.9 t80 -68.55 -30.71 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 111.003 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -46.18 86.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -66.63 -37.09 84.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.259 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 8.6 t80 -65.32 -42.0 93.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.688 HG11 HD21 ' A' ' 211' ' ' LEU . 3.7 t -66.08 -42.27 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -57.59 -44.0 85.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.461 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.2 OUTLIER -63.72 -43.33 96.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.827 ' CA ' HG21 ' A' ' 153' ' ' ILE . 51.6 t80 -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.793 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.16 -21.6 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -72.92 -44.4 61.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.807 ' CG2' HD13 ' A' ' 150' ' ' ILE . 57.2 m -74.2 -37.2 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.49 -50.34 73.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 172' ' ' LEU . 1.0 OUTLIER -68.27 -8.16 37.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.7 pm0 -65.25 -30.58 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.425 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.05 -43.6 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.3 mt -68.67 -46.46 69.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.671 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -57.98 -44.13 86.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.939 HG22 HD13 ' A' ' 202' ' ' LEU . 42.1 t -65.71 -47.64 85.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -38.01 89.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.3 OUTLIER -89.35 13.81 12.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.198 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -103.14 158.98 15.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -48.16 175.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.06 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.829 . . . . 0.0 110.992 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.9 OUTLIER -51.76 -54.08 32.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 202' ' ' LEU . 20.5 t -54.58 -37.5 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.61 -44.52 89.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.9 m -65.15 -41.85 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.951 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -38.69 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.201 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.939 HD13 HG22 ' A' ' 191' ' ' VAL . 5.6 mt -72.4 -29.9 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -70.3 -35.44 73.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.56 -31.1 41.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.831 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -53.26 -84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 164.57 155.49 8.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.34 4.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 167.01 40.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.619 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.02 157.35 26.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 212' ' ' GLU . 7.6 p -101.36 -172.01 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.688 HD21 HG11 ' A' ' 165' ' ' VAL . 1.6 tm? -70.95 -55.39 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 213' ' ' GLU . 1.2 pp20? -54.24 -42.25 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.524 ' HG3' HD21 ' A' ' 205' ' ' LEU . 1.2 tp10 -67.36 -44.22 79.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.85 -42.3 98.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.559 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.41 -32.68 70.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -40.05 89.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.951 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.67 -40.29 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.419 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.8 t -64.81 -38.33 90.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.78 -27.69 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.335 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.19 -25.93 69.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.624 ' C ' HG21 ' A' ' 171' ' ' THR . 8.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.574 ' HA ' HD13 ' A' ' 153' ' ' ILE . 6.8 mm -73.79 -19.08 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -32.66 74.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.458 ' C ' HD12 ' A' ' 153' ' ' ILE . 21.6 t70 -68.41 -14.8 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.838 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -87.25 96.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.519 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 8.5 mtt85 -122.23 164.03 18.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 4.6 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 57.0 t80 -63.53 -29.91 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.194 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -34.21 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 155' ' ' GLN . 14.7 t80 -67.21 -38.92 86.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.9 t -70.79 -41.92 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.68 -44.9 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -44.34 88.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.838 ' CA ' HG21 ' A' ' 153' ' ' ILE . 46.8 t80 -58.19 -47.83 82.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.941 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.38 -21.0 58.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -72.28 -45.19 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.624 HG21 ' C ' ' A' ' 149' ' ' SER . 53.0 m -74.84 -36.58 62.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.941 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -57.06 -42.05 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.94 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 191' ' ' VAL . 9.6 pm0 -60.87 -29.1 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.39 -42.44 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -59.15 -44.07 92.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 187' ' ' GLU . 56.0 t -66.13 -46.39 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.7 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.2 t-20 -87.48 8.98 22.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.59 166.69 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.27 172.71 0.27 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.6 1.187 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -52.54 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -51.58 -50.7 59.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -54.22 -37.91 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.46 -43.37 88.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 85.0 m -65.22 -40.69 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.793 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.7 OUTLIER -63.74 -46.18 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.719 HD13 HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -68.96 -24.43 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -73.4 -49.32 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.389 1.056 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.5 -18.71 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 1.081 HD21 ' HB2' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -78.62 -68.46 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.609 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 166.21 133.45 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 57.17 4.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 164.57 41.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.596 1.185 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 1.081 ' HB2' HD21 ' A' ' 205' ' ' LEU . . . -80.95 162.12 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 213' ' ' GLU . 10.1 t -92.43 154.79 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.9 OUTLIER -39.59 -37.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.59 -51.57 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.754 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.0 OUTLIER -66.06 -38.43 88.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.234 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.604 ' HE2' ' HB3' ' A' ' 209' ' ' ALA . 1.4 mtt -63.51 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.6 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.9 -33.05 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -40.22 88.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.793 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.72 -41.91 67.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.513 ' HG ' ' HD1' ' A' ' 161' ' ' PHE . 5.8 t -61.3 -40.2 93.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.79 -24.65 66.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.282 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.26 -25.26 61.85 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.553 1.158 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.195 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.516 ' C ' HG21 ' A' ' 171' ' ' THR . 3.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.887 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.0 mm -73.07 -18.15 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.5 pp -66.94 -30.85 71.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.7 -15.58 62.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.768 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.75 77.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.2 170.9 8.9 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.574 ' NE2' HD21 ' A' ' 195' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 19.4 t80 -70.81 -32.1 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -46.08 91.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.29 -33.44 75.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.448 ' HE1' HD12 ' A' ' 190' ' ' LEU . 4.1 t80 -66.95 -44.11 81.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.23 -42.5 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 170' ' ' LYS . 1.4 m-20 -58.91 -44.31 91.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -43.27 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.768 ' CA ' HG21 ' A' ' 153' ' ' ILE . 53.7 t80 -58.45 -47.36 84.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.802 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.26 -21.96 55.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.437 ' CE ' ' HB3' ' A' ' 166' ' ' ASP . 14.9 mtmt -72.64 -44.09 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.887 ' HB ' HD13 ' A' ' 150' ' ' ILE . 34.8 m -74.01 -39.28 63.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 0.0 110.445 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.802 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.51 -49.52 76.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 173' ' ' ARG . 2.9 ttp-105 -67.59 -16.0 63.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.472 HG23 ' HE1' ' A' ' 168' ' ' PHE . 15.1 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 188' ' ' THR . 0.9 OUTLIER -47.23 -28.89 2.08 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.438 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.07 -35.5 71.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.3 mt -75.39 -44.15 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -58.62 -42.72 88.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.983 HG22 HD13 ' A' ' 202' ' ' LEU . 38.7 t -75.35 -47.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 192' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.6 tp60 -60.7 -40.27 91.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 189' ' ' LEU . 6.8 t30 -88.15 14.9 8.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 109.406 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -111.34 159.94 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.574 HD21 ' NE2' ' A' ' 155' ' ' GLN . 0.2 OUTLIER -42.51 165.3 0.1 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.583 1.833 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.59 -51.92 33.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.458 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 10.6 t -56.37 -36.81 69.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 108.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -57.59 -44.98 85.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 63.6 m -64.16 -42.13 96.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.941 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -37.52 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.983 HD13 HG22 ' A' ' 191' ' ' VAL . 1.4 mt -72.22 -31.93 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -67.02 -38.27 85.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.228 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.53 -30.79 53.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.755 HD21 ' CG ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -57.52 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.83 155.68 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 56.8 4.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 151.69 50.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.745 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.23 157.26 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.799 . . . . 0.0 109.259 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.9 t -93.65 154.57 17.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.532 HD21 ' OH ' ' A' ' 169' ' ' TYR . 2.8 mp -44.81 -36.07 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.46 -50.05 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.755 ' CG ' HD21 ' A' ' 205' ' ' LEU . 4.6 tp10 -68.26 -36.07 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.627 ' HG2' HD21 ' A' ' 202' ' ' LEU . 4.4 mtt -65.21 -46.56 80.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.572 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 1.5 ttp -69.5 -32.69 71.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -38.81 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.941 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.35 -37.67 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.565 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -63.54 -43.26 97.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 108.348 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.16 -26.97 65.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.649 ' O ' HG21 ' A' ' 171' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.704 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.8 mm -80.17 -17.1 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.461 HD23 ' OG ' ' A' ' 149' ' ' SER . 1.5 pp -66.94 -30.68 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 153' ' ' ILE . 11.4 t70 -71.91 -14.47 61.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.838 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.23 98.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.38 171.59 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.751 ' OE1' ' HB1' ' A' ' 194' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.2 t80 -70.35 -34.8 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.03 90.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -62.55 -43.85 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.89 -42.5 96.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.626 1.204 . . . . 0.0 109.284 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -40.88 79.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.41 -44.89 81.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.838 ' CA ' HG21 ' A' ' 153' ' ' ILE . 49.1 t80 -58.13 -47.36 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.84 -21.23 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -72.43 -44.6 62.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.704 ' CG2' HD13 ' A' ' 150' ' ' ILE . 59.7 m -74.04 -39.12 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.91 -47.63 82.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.5 mtt85 -75.78 -7.44 54.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.4 pm0 -66.46 -29.14 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.438 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.22 -38.19 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -46.71 51.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.86 -44.58 94.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.481 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 34.7 t -68.14 -46.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.1 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 13.6 t-20 -94.93 20.39 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -108.84 159.4 16.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.4 OUTLIER -43.18 165.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.04 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.48 -47.4 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 15.1 t -59.1 -35.59 73.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.342 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 199' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 3.0 tttm -56.9 -47.33 80.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 53.7 m -62.22 -43.4 98.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.458 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.912 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.28 -37.71 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 191' ' ' VAL . 0.1 OUTLIER -66.69 -35.32 79.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -64.04 -40.32 96.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.88 -26.25 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -61.92 -92.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.68 154.73 13.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.098 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.39 5.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.23 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.578 1.174 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.73 162.54 24.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 3.6 t -94.95 165.27 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.81 -52.15 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -46.14 -39.54 9.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -73.21 -38.91 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.442 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 40.8 mtt -63.86 -44.62 92.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.536 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 34.8 ttp -70.39 -35.66 73.61 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.414 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.912 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.4 -42.65 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.486 ' O ' HG12 ' A' ' 221' ' ' VAL . 11.6 t -57.98 -44.06 86.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.8 -25.33 67.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.91 -28.91 58.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.422 1.077 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.664 ' C ' HG21 ' A' ' 171' ' ' THR . 3.4 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.814 HD13 ' CG2' ' A' ' 171' ' ' THR . 8.5 mm -78.62 -18.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.15 -33.11 75.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.232 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.424 ' C ' HD12 ' A' ' 153' ' ' ILE . 1.7 t0 -68.26 -15.65 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.835 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.84 97.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 8.2 ttm180 -124.05 161.04 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 4.7 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.4 t80 -58.65 -28.18 65.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.81 -34.14 77.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.8 t80 -66.87 -41.01 87.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.44 -42.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.61 -44.68 85.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -44.14 92.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.835 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.4 t80 -58.13 -47.27 83.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.776 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.58 -20.6 58.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.88 -45.16 62.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.814 ' CG2' HD13 ' A' ' 150' ' ' ILE . 25.5 m -74.88 -37.79 62.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -45.41 84.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -84.38 9.91 12.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 110.175 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.6 tp10 -45.31 -30.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -40.46 73.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 186' ' ' THR . 2.7 mp -71.77 -47.11 55.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -43.82 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.942 HG13 HD22 ' A' ' 202' ' ' LEU . 54.9 t -68.6 -46.51 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -62.89 -38.06 89.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 154' ' ' ARG . 0.1 OUTLIER -87.94 13.05 11.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -87.45 170.24 11.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.464 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.3 m-20 -62.9 175.87 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.98 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.498 1.788 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.85 -46.58 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.9 t -54.0 -36.48 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 199' ' ' LYS . . . . . 0.513 ' HA ' HD21 ' A' ' 202' ' ' LEU . 9.4 tttm -60.95 -41.69 96.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.2 m -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 110.444 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 1.04 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.23 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.942 HD22 HG13 ' A' ' 191' ' ' VAL . 4.5 pp -69.9 -25.11 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -71.74 -44.89 63.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -20.17 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.838 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.1 OUTLIER -82.8 -68.12 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.838 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 174.81 132.28 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 138.59 44.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.826 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.03 170.62 16.21 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.546 0.792 . . . . 0.0 109.209 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.9 162.17 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 211' ' ' LEU . 2.1 tm? -56.21 -54.89 39.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 3.3 mt-10 -57.22 -27.7 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.835 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.1 OUTLIER -71.64 -44.72 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -46.93 80.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.598 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 5.0 ppp? -69.58 -29.1 66.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 216' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 212' ' ' GLU . 1.2 m -67.86 -41.48 82.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.04 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -70.82 -42.06 70.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.652 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.2 t -59.79 -45.82 91.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 108.244 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -26.97 68.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.63 -23.29 67.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.552 1.158 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 218' ' ' CYS . 4.2 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.782 ' O ' HG21 ' A' ' 171' ' ' THR . 1.8 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.726 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.7 mm -87.91 -18.34 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.415 ' C ' HD22 ' A' ' 193' ' ' ASN . 0.5 OUTLIER -64.44 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -70.52 -20.1 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.839 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -80.15 82.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' A' ' 164' ' ' TYR . 5.1 ptt180 -127.9 169.8 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.599 1.187 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 155' ' ' GLN . 2.1 pm0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.5 t80 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -62.27 -44.2 97.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.92 -33.49 75.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 154' ' ' ARG . 3.3 t80 -67.31 -43.36 81.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.61 -45.39 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.386 1.054 . . . . 0.0 109.231 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.37 -45.87 90.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.364 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -66.27 -41.95 89.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.839 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.0 t80 -59.78 -47.37 85.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.776 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.09 -21.77 58.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -72.7 -44.51 61.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.782 HG21 ' O ' ' A' ' 149' ' ' SER . 58.7 m -73.99 -37.43 64.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.93 -49.54 76.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.507 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -64.59 -11.43 34.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.602 HG23 ' HE1' ' A' ' 168' ' ' PHE . 3.3 m . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.792 ' O ' HG23 ' A' ' 191' ' ' VAL . 0.7 OUTLIER -45.02 -34.23 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -37.56 85.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' THR . 3.3 mt -71.31 -46.59 60.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.724 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -54.27 -42.82 70.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.201 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 187' ' ' GLU . 46.8 t -72.37 -47.79 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.56 -52.95 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 14.6 t30 -70.11 -5.22 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.19 153.3 17.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 3.9 p-10 -40.27 160.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -49.13 -46.11 44.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 49.7 t -54.53 -37.33 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -45.75 87.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.9 m -62.8 -40.72 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.424 1.078 . . . . 0.0 110.454 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.806 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -64.18 -43.25 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.35 -22.8 61.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -71.6 -47.29 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.59 -22.96 53.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 1.088 HD13 ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -82.33 -56.5 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.362 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.651 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 168.37 127.13 0.89 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.48 44.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.644 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.25 167.2 20.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -59.04 167.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 210' ' ' THR . 6.2 tt -56.23 -56.74 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -32.1 53.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.553 ' CG ' ' HB1' ' A' ' 209' ' ' ALA . 1.7 tt0 -67.52 -46.68 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.09 97.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.8 ttm -70.24 -31.98 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -39.99 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.088 ' HB2' HD13 ' A' ' 205' ' ' LEU . . . -71.45 -42.81 67.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.439 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.0 t -58.94 -45.89 89.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.68 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.09 -22.85 64.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 201' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.74 ' O ' HG21 ' A' ' 171' ' ' THR . 1.7 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.764 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.5 mm -83.82 -18.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.18 -22.83 63.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.67 HG22 ' CE1' ' A' ' 164' ' ' TYR . 1.2 mp -76.3 119.5 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.43 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 10.0 ptt180 -152.59 164.24 38.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.227 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.445 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 76.1 t80 -70.49 -22.65 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -45.66 82.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.177 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -64.0 -39.43 94.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.223 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.67 ' CE1' HG22 ' A' ' 153' ' ' ILE . 12.5 t80 -63.03 -44.75 95.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 169' ' ' TYR . 5.1 t -61.7 -43.18 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -42.77 85.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -66.67 -44.82 80.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.61 ' CA ' HG21 ' A' ' 153' ' ' ILE . 62.3 t80 -58.25 -47.12 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.658 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.0 m-85 -74.35 -22.71 59.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.93 -44.57 61.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.224 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.764 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.8 m -74.03 -35.14 64.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.462 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.65 -39.81 74.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -61.4 -32.05 71.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.409 ' CD ' ' C ' ' A' ' 187' ' ' GLU . 3.4 tm-20 -51.03 -39.49 56.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -28.49 68.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -72.23 -47.0 53.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.602 1.189 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.752 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -58.7 -44.94 90.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.62 -46.68 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.09 89.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.3 OUTLIER -92.42 17.66 9.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -113.02 160.54 18.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 4.0 p-10 -41.81 162.43 0.14 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -75.1 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.27 -44.75 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.463 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 43.2 t -59.28 -35.75 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -56.73 -47.07 80.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 51.6 m -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.942 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.27 -34.63 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 202' ' ' LEU . 0.1 OUTLIER -69.88 -34.6 73.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -67.53 -38.25 83.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.143 . . . . 0.0 109.404 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.59 -23.03 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.46 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.3 153.42 10.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 57.89 4.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 152.46 49.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -79.9 155.33 27.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 213' ' ' GLU . 9.5 t -94.27 149.01 21.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.879 HD13 ' N ' ' A' ' 212' ' ' GLU . 0.0 OUTLIER -41.43 -31.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.879 ' N ' HD13 ' A' ' 211' ' ' LEU . 4.4 tt0 -67.92 -51.14 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.539 ' CG ' HD21 ' A' ' 205' ' ' LEU . 1.5 tp10 -66.39 -39.82 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 25.7 mtm -63.33 -42.99 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.7 ttp -68.92 -35.4 76.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -37.96 85.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.942 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.15 -37.52 69.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.619 ' O ' HG12 ' A' ' 221' ' ' VAL . 10.1 t -63.57 -46.2 86.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.227 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.71 -29.98 53.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.593 1.183 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.755 ' C ' HG21 ' A' ' 171' ' ' THR . 6.2 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.931 ' HA ' HD13 ' A' ' 153' ' ' ILE . 5.7 mm -76.98 -15.75 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.5 -30.36 70.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.72 -7.95 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.931 HD13 ' HA ' ' A' ' 150' ' ' ILE . 2.6 mp -94.56 96.98 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.464 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -126.68 162.57 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.447 ' NE2' ' SG ' ' A' ' 218' ' ' CYS . 19.3 tt0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 55.0 t80 -66.39 -30.87 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -45.47 92.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.93 -35.16 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.464 ' CE1' ' C ' ' A' ' 154' ' ' ARG . 12.6 t80 -66.23 -43.08 87.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.32 -42.94 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.072 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -57.51 -43.73 84.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -42.8 98.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.831 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.0 t80 -59.34 -47.47 85.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.732 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.21 -19.01 58.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.28 -46.24 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.765 ' CG2' HD13 ' A' ' 150' ' ' ILE . 12.9 m -75.89 -39.12 57.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.65 -44.94 81.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.3 10.54 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.979 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.545 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.545 ' N ' HG22 ' A' ' 186' ' ' THR . 0.8 OUTLIER -45.07 -33.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -40.01 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' ASN . 1.8 mp -69.75 -46.78 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.4 tp -57.09 -44.35 83.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.388 1.055 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.673 HG22 ' HE3' ' A' ' 214' ' ' MET . 39.8 t -66.76 -46.82 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -37.85 88.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 47.4 t-20 -92.25 17.11 10.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.39 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -101.59 178.36 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.481 ' ND2' ' HD2' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -61.25 169.66 2.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.481 ' HD2' ' ND2' ' A' ' 195' ' ' ASN . 18.6 Cg_endo -74.97 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.858 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.04 -45.37 61.28 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.404 ' SG ' HD23 ' A' ' 202' ' ' LEU . 41.9 t -54.56 -36.06 63.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -47.13 82.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 66.5 m -62.39 -42.41 99.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.944 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.06 -34.61 69.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.614 HD11 ' HG2' ' A' ' 214' ' ' MET . 0.5 OUTLIER -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -66.6 -38.79 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.82 -24.5 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.05 -84.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.52 147.63 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 44.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.492 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.4 164.54 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 213' ' ' GLU . 14.6 t -88.46 147.93 24.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.491 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -34.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.389 1.056 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.02 -46.4 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.726 ' HG3' HD21 ' A' ' 205' ' ' LEU . 2.4 tp10 -67.16 -39.03 86.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.673 ' HE3' HG22 ' A' ' 191' ' ' VAL . 3.2 mtp -64.03 -41.23 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.589 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.8 ttt -71.58 -34.26 69.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -38.64 86.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.944 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.32 -41.83 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.476 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -59.31 -45.29 91.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.06 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.053 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.94 -29.71 53.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.716 ' O ' HG21 ' A' ' 171' ' ' THR . 6.3 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.723 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -79.85 -17.41 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.54 -25.27 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.447 ' C ' HD12 ' A' ' 153' ' ' ILE . 16.0 t70 -78.38 -10.4 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.72 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.1 mp -86.27 90.53 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 166.22 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.571 ' HB2' ' CD1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.179 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.402 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 9.7 t80 -71.32 -29.13 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -47.97 82.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -67.46 -32.83 73.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 155' ' ' GLN . 32.6 t80 -66.48 -46.49 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 211' ' ' LEU . 3.2 t -62.79 -43.11 98.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.58 -40.63 83.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -68.03 -46.6 70.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.72 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.0 t80 -57.92 -47.08 83.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.645 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.63 -21.83 57.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -44.24 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.723 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.9 m -74.18 -38.93 63.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.79 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.94 -43.47 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -0.14 32.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.55 HG23 ' H ' ' A' ' 187' ' ' GLU . 1.2 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.55 ' H ' HG23 ' A' ' 186' ' ' THR . 2.7 pm0 -55.24 -30.22 59.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.425 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.4 OUTLIER -70.11 -37.19 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.4 mt -69.9 -46.29 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.74 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.14 -43.47 82.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.392 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 48.0 t -68.5 -48.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -38.42 88.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -91.37 17.79 8.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -111.59 160.83 16.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.546 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 2.0 p-10 -42.11 163.44 0.13 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -49.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -49.62 -48.29 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.46 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 20.6 t -56.12 -35.64 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 199' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -56.69 -46.77 81.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 33.7 m -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.917 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.58 -34.96 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.492 HD11 ' HG2' ' A' ' 214' ' ' MET . 0.1 OUTLIER -69.86 -34.23 73.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -66.61 -39.95 88.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.8 -26.64 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -64.96 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.82 149.94 8.82 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.73 4.64 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.14 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 213' ' ' GLU . . . -80.04 161.81 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 0.823 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 14.2 t -92.03 160.56 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.745 ' C ' HD13 ' A' ' 211' ' ' LEU . 0.4 OUTLIER -47.55 -39.98 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.425 ' N ' HD13 ' A' ' 211' ' ' LEU . 0.1 OUTLIER -62.59 -37.46 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.739 ' HB3' ' HB1' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -68.53 -46.79 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.63 1.206 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.492 ' HG2' HD11 ' A' ' 202' ' ' LEU . 22.0 mtt -63.82 -41.9 97.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.6 OUTLIER -67.76 -34.96 77.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.943 ' HB2' HD11 ' A' ' 205' ' ' LEU . . . -71.44 -36.95 71.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.561 ' O ' HG12 ' A' ' 221' ' ' VAL . 33.0 t -61.47 -46.22 90.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -28.96 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.41 -27.51 67.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.731 ' C ' HG21 ' A' ' 171' ' ' THR . 3.1 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.758 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.7 mm -81.89 -17.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.202 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.37 -31.83 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.73 -20.15 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -78.01 70.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 159.51 17.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.432 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.8 pt20 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.942 -0.445 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.3 t80 -69.62 -27.95 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.42 -32.56 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 4.0 t80 -67.8 -39.07 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.53 -46.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.77 -42.2 88.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -66.43 -42.52 87.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.638 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.0 t80 -59.96 -47.19 86.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.715 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -74.28 -22.25 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -73.31 -44.53 58.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.372 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.758 ' HB ' HD13 ' A' ' 150' ' ' ILE . 52.7 m -74.0 -34.61 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.776 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.37 -40.07 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.45 63.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.48 -37.36 48.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 192' ' ' GLN . 0.7 OUTLIER -67.36 -32.85 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.19 -46.06 36.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.571 ' CD2' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -55.28 -44.49 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.671 HG13 HD13 ' A' ' 202' ' ' LEU . 69.1 t -75.92 -46.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 192' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.8 tp60 -57.77 -43.09 85.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 36.8 t30 -78.14 0.97 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -93.48 157.48 16.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.388 1.055 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -47.04 172.27 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.388 1.73 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.425 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.15 -52.99 30.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 33.9 t -53.36 -38.1 62.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.01 -43.41 86.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 93.1 m -64.74 -40.29 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.654 HG22 ' HB1' ' A' ' 217' ' ' ALA . 1.0 OUTLIER -63.59 -43.76 98.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.671 HD13 HG13 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -69.22 -26.78 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -39.81 66.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.4 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 1.036 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -81.77 -53.67 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.502 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 149.11 132.12 2.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.64 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 168.92 39.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.408 1.068 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 1.036 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -81.17 159.9 24.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 0.735 . . . . 0.0 109.284 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 214' ' ' MET . 8.9 t -89.91 -171.14 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.417 ' N ' ' OG1' ' A' ' 210' ' ' THR . 0.1 OUTLIER -64.89 -48.51 73.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.21 -44.34 95.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.6 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -68.91 -46.01 69.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.571 ' CE ' ' CD2' ' A' ' 190' ' ' LEU . 39.2 mtp -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.0 ttt -70.85 -33.28 70.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -39.9 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.654 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.41 -41.41 69.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.497 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.8 t -62.33 -40.07 95.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.263 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -26.51 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.92 -27.85 61.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.45 ' O ' HD13 ' A' ' 153' ' ' ILE . 33.3 t . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.787 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.7 mm -71.62 -18.24 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.54 -29.22 68.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 153' ' ' ILE . 12.0 t70 -72.48 -14.43 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.854 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.52 106.35 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.479 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -144.37 153.46 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 2.1 pt20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 77.1 t80 -70.32 -31.96 69.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -60.77 -45.9 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.09 -35.09 79.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 6.9 t80 -66.07 -40.25 90.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 211' ' ' LEU . 18.3 t -69.73 -40.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.02 94.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.854 ' CA ' HG21 ' A' ' 153' ' ' ILE . 52.5 t80 -58.62 -46.74 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.963 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.44 -21.38 58.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -72.74 -43.93 62.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.787 ' HB ' HD13 ' A' ' 150' ' ' ILE . 86.5 m -73.74 -40.39 63.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.963 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.7 -44.68 86.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -71.41 -5.99 36.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.708 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.797 ' O ' HG23 ' A' ' 191' ' ' VAL . 0.2 OUTLIER -47.84 -30.24 3.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.411 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.03 -34.44 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 186' ' ' THR . 1.0 OUTLIER -73.34 -46.27 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.634 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.5 OUTLIER -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 187' ' ' GLU . 85.1 t -68.56 -45.6 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -38.17 89.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 0.5 OUTLIER -88.27 9.84 21.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.92 158.1 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.649 1.218 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -50.52 176.62 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -75.05 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.4 OUTLIER -51.1 -54.9 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 202' ' ' LEU . 21.8 t -54.93 -39.86 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -47.06 85.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.4 m -61.5 -41.21 96.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.85 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.96 -44.65 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.569 HD13 HG13 ' A' ' 191' ' ' VAL . 0.4 OUTLIER -68.53 -23.06 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.46 -52.21 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.14 -18.01 61.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 1.03 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -80.66 -68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.357 179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.615 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 160.94 133.1 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.19 4.15 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.12 38.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 1.03 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -81.02 159.8 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 213' ' ' GLU . 10.1 t -90.17 155.94 18.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.664 HD11 HG11 ' A' ' 165' ' ' VAL . 8.3 tt -41.3 -34.08 0.46 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -46.9 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.233 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.84 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.5 OUTLIER -70.11 -37.01 75.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.458 ' HG2' ' HB3' ' A' ' 209' ' ' ALA . 4.9 mtm -64.36 -47.16 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ptt? -70.01 -29.85 67.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 216' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 215' ' ' MET . 0.9 OUTLIER -67.12 -40.08 86.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.354 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.85 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.79 -42.76 66.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.529 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.9 t -59.88 -38.75 83.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -25.68 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.85 -25.46 64.63 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.832 ' C ' HG21 ' A' ' 171' ' ' THR . 7.8 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.55 -13.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -19.24 65.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.594 ' HA ' HH21 ' A' ' 154' ' ' ARG . 4.8 t0 -89.74 -15.09 33.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.687 HG21 ' CA ' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -68.63 116.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.225 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.594 HH21 ' HA ' ' A' ' 152' ' ' ASP . 19.1 ptp180 -148.29 163.03 38.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.9 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.972 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.6 t80 -65.96 -28.75 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -45.36 87.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.83 -37.71 86.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 154' ' ' ARG . 4.9 t80 -65.56 -42.69 91.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.93 -42.85 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -57.56 -42.15 82.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -44.45 90.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 150' ' ' ILE . 50.8 t80 -58.55 -47.04 85.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.648 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.25 -20.94 58.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.53 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.832 HG21 ' C ' ' A' ' 149' ' ' SER . 33.8 m -73.56 -40.05 64.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.5 -45.08 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.256 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -10.21 59.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 191' ' ' VAL . 2.3 tp10 -52.65 -44.22 66.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.0 mt -67.26 -46.63 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -58.4 -43.68 88.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 187' ' ' GLU . 62.0 t -65.73 -47.57 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.56 -39.1 93.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 0.3 OUTLIER -88.19 10.84 18.09 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -102.53 166.71 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.19 166.68 0.64 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -44.81 62.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.494 ' SG ' HD13 ' A' ' 202' ' ' LEU . 19.5 t -54.24 -36.94 64.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.62 -46.98 85.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 88.2 m -62.14 -41.13 97.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.966 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.66 -40.88 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.503 ' CD2' HG22 ' A' ' 191' ' ' VAL . 6.3 mp -72.18 -22.31 61.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -44.37 46.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.19 45.53 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -74.57 -73.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.838 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -176.19 137.34 3.62 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 56.89 4.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 129.41 48.62 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.855 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.07 168.53 19.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.81 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 211' ' ' LEU . 1.2 tm? -58.7 -59.29 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.4 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 1.8 mp0 -49.17 -31.67 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.744 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.6 OUTLIER -72.78 -45.62 57.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.414 ' SD ' HD21 ' A' ' 202' ' ' LEU . 0.0 OUTLIER -63.28 -45.78 89.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.603 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -30.85 67.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 216' ' ' THR . . . . . 0.445 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -66.05 -40.4 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.966 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.07 -44.0 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.536 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.6 t -59.35 -39.04 81.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.94 -26.23 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.01 -22.63 68.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 218' ' ' CYS . 2.2 p . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.699 ' C ' HG21 ' A' ' 171' ' ' THR . 9.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.843 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -66.41 -14.24 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -21.19 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.35 -18.95 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.7 OUTLIER -67.5 108.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.6 168.64 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 60.0 mt-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.232 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 71.0 t80 -70.33 -32.89 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.79 -45.31 94.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.6 -35.76 80.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 9.8 t80 -65.36 -42.4 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.3 -44.25 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.361 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.61 -41.89 82.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CG ' HG13 ' A' ' 153' ' ' ILE . 1.5 tpp180 -64.68 -42.91 95.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.843 ' CE2' HD11 ' A' ' 150' ' ' ILE . 49.1 t80 -58.39 -47.43 83.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.578 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -44.12 63.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.699 HG21 ' C ' ' A' ' 149' ' ' SER . 10.1 m -74.0 -37.82 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.03 -43.71 97.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -75.85 -2.04 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.773 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.831 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.2 tm-20 -68.76 -36.51 78.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -41.46 75.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -69.31 -46.53 66.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.398 1.061 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 2.2 tp -57.1 -44.08 82.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 1.025 HG22 HD23 ' A' ' 202' ' ' LEU . 81.7 t -66.85 -47.14 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.63 -38.23 90.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 17.9 t-20 -89.08 14.14 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -106.3 159.74 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -45.21 168.84 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.97 -45.68 64.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.7 t -54.69 -36.62 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.2 -45.13 88.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.9 m -63.82 -41.46 97.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 1.075 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.67 -43.48 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.18 -179.891 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.025 HD23 HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -70.33 -26.48 63.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -42.15 76.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -81.65 -20.37 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.994 HD13 ' HB2' ' A' ' 217' ' ' ALA . 5.6 tp -59.12 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.86 145.32 4.96 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.395 1.06 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.27 4.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.56 ' HB3' HD23 ' A' ' 205' ' ' LEU . . . -79.97 161.87 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 4.7 t -79.3 -177.49 5.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.064 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 211' ' ' LEU . 0.9 OUTLIER -68.34 -51.88 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.21 -35.07 48.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.578 ' HG3' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -70.41 -45.51 65.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 15.5 mtm -62.29 -42.06 99.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.6 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.3 OUTLIER -70.37 -34.1 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -39.12 89.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.352 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.075 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.17 -40.53 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.44 -45.81 91.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -25.08 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.83 -23.14 64.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.168 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.49 0.759 . . . . 0.0 109.382 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.858 ' C ' HG21 ' A' ' 171' ' ' THR . 5.1 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.875 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.45 -13.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.555 HD23 ' OG ' ' A' ' 149' ' ' SER . 2.1 pp -68.12 -19.2 64.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -89.15 -15.47 33.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.613 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.6 OUTLIER -67.94 92.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 1.5 ttt85 -111.48 155.42 23.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.383 1.052 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.552 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.6 t80 -66.69 -32.04 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -45.78 90.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.64 -35.41 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 34.6 t80 -66.86 -40.16 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.8 t -70.92 -41.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -57.98 -43.55 86.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -45.85 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.875 ' CE2' HD11 ' A' ' 150' ' ' ILE . 53.1 t80 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.67 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.41 -21.49 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -68.62 -45.21 72.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.858 HG21 ' C ' ' A' ' 149' ' ' SER . 34.4 m -75.09 -41.3 59.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.06 -50.12 74.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.413 ' N ' HD12 ' A' ' 172' ' ' LEU . 2.8 mtt-85 -65.32 -16.36 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.556 0.217 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.475 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 2.8 tt0 -50.16 -32.16 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 0.0 110.231 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -30.99 68.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.9 mt -72.34 -46.49 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -59.59 -44.46 93.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.839 HG13 HD13 ' A' ' 202' ' ' LEU . 42.3 t -67.86 -46.51 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.29 -38.18 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.229 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 189' ' ' LEU . 20.1 t-20 -86.22 7.46 25.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.181 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.53 155.62 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -48.36 175.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 196' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -75.07 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -51.19 57.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.77 -37.32 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -58.18 -47.33 83.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.7 m -62.53 -40.14 95.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 1.112 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -68.51 -32.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.839 HD13 HG13 ' A' ' 191' ' ' VAL . 1.7 mt -72.09 -31.91 66.52 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.464 1.103 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -72.75 -44.22 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.67 -19.19 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.966 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -73.52 -76.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.767 ' H ' HD23 ' A' ' 205' ' ' LEU . . . -178.64 138.0 3.46 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.02 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.2 43.73 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.966 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.61 166.9 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -75.65 175.13 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 210' ' ' THR . 2.7 tm? -59.21 -58.3 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.6 ' HG3' HG23 ' A' ' 210' ' ' THR . 0.0 OUTLIER -46.72 -31.21 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.581 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.9 OUTLIER -75.02 -44.76 46.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.475 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 43.6 mtm -62.71 -40.55 97.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.57 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 4.3 ttp -73.33 -34.47 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.198 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -39.61 94.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.112 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -46.34 55.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 6.3 t -56.38 -41.26 75.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.615 1.197 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -24.79 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.0 59.49 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.739 ' O ' HG21 ' A' ' 171' ' ' THR . 6.4 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.817 HD13 ' CG2' ' A' ' 171' ' ' THR . 9.9 mm -85.21 -22.03 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -30.19 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -70.23 -17.36 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.855 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.4 105.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.473 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -137.37 164.72 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.822 0 N-CA-C 110.887 -0.467 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 69.6 t80 -68.02 -33.4 74.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -45.56 94.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 8.3 t80 -65.12 -44.07 89.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.93 -42.62 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.64 -44.47 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -43.01 96.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.855 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.9 t80 -58.62 -47.02 85.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.977 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.52 -21.14 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.8 -44.15 61.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.817 ' CG2' HD13 ' A' ' 150' ' ' ILE . 76.0 m -73.86 -39.38 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -75.65 -11.13 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -38.69 39.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -34.28 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.5 mp -72.01 -46.44 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -57.73 -43.56 85.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 202' ' ' LEU . 47.2 t -68.71 -47.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -38.13 89.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -86.83 10.03 17.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -98.21 155.05 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.2 OUTLIER -46.32 171.96 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.41 -47.57 62.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 22.6 t -55.12 -37.35 66.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.35 -46.64 85.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.8 m -62.4 -41.09 98.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 1.075 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -41.97 93.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 191' ' ' VAL . 91.9 mt -70.05 -24.55 63.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.198 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -74.34 -51.51 14.93 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.2 -19.01 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 213' ' ' GLU . 0.2 OUTLIER -77.54 -78.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.762 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -167.89 131.8 2.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.107 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.22 4.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.35 43.83 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.77 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.6 168.21 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.9 t -69.96 179.02 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -54.81 28.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -33.56 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.893 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tt0 -69.25 -45.84 68.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.09 93.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.2 OUTLIER -72.73 -32.36 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -40.54 88.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.075 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.84 -43.6 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 5.7 t -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.269 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -24.71 67.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.616 1.198 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.0 -26.35 58.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.81 ' C ' HG21 ' A' ' 171' ' ' THR . 9.0 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.676 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.0 mm -84.82 -21.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.062 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.659 HD23 ' OG ' ' A' ' 149' ' ' SER . 0.7 OUTLIER -62.74 -35.18 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.89 -22.47 67.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.856 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -81.21 96.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 33.7 ptt180 -125.63 167.57 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.9 tt0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 40.1 t80 -66.79 -34.56 78.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -60.75 -46.01 92.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -33.38 74.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.3 t80 -67.63 -42.04 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.93 -42.92 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.63 -44.63 85.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -44.43 93.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.856 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.4 t80 -58.4 -47.09 85.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.79 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.15 -20.81 59.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -72.34 -45.25 60.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.81 HG21 ' C ' ' A' ' 149' ' ' SER . 23.7 m -74.3 -37.99 63.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.06 -44.35 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -85.83 5.83 30.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.62 -37.1 77.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -32.11 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.9 OUTLIER -72.34 -46.95 53.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.8 tp -58.43 -44.36 89.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.91 HG22 ' CD2' ' A' ' 202' ' ' LEU . 49.2 t -68.26 -45.79 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.13 -37.92 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 0.1 OUTLIER -85.28 3.17 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.06 159.75 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 195' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.9 OUTLIER -42.73 165.01 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.608 1.846 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.79 -44.96 63.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.822 ' HA ' HD12 ' A' ' 201' ' ' ILE . 23.7 t -53.53 -35.4 60.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -43.95 76.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.2 m -69.44 -34.43 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 1.076 HG22 ' HB1' ' A' ' 217' ' ' ALA . 44.9 mt -63.16 -41.79 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.211 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.91 ' CD2' HG22 ' A' ' 191' ' ' VAL . 5.7 mp -72.26 -34.22 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.16 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.236 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -85.79 -22.0 27.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.0 OUTLIER -81.02 -69.18 0.62 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 206' ' ' GLY . . . . . 0.876 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -178.97 129.09 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.16 4.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.82 43.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.643 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.93 171.38 15.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 0.702 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 10.9 t -74.92 156.5 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.33 -43.31 10.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.81 -44.8 86.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.23 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.697 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -66.03 -42.25 89.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.2 mmm -61.76 -39.92 93.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.9 OUTLIER -71.05 -34.16 70.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -39.39 92.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 1.076 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.06 -43.05 65.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.537 ' HG ' ' HD1' ' A' ' 161' ' ' PHE . 6.9 t -59.67 -44.94 93.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 108.359 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -25.28 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.82 -23.89 65.87 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.449 1.093 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 201' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.355 0.679 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.671 ' C ' HG21 ' A' ' 171' ' ' THR . 28.1 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.904 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.6 mm -74.72 -19.87 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.2 -36.54 83.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -79.01 66.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -107.27 167.17 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.2 t80 -69.43 -34.51 74.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -45.86 92.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.34 -32.96 74.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 164' ' ' TYR . . . . . 0.505 ' HE1' HD12 ' A' ' 190' ' ' LEU . 3.5 t80 -68.43 -44.58 74.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.34 -46.06 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.95 -43.36 91.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.483 ' CG ' HG13 ' A' ' 153' ' ' ILE . 3.6 tpt180 -65.15 -43.43 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.723 ' CE1' HG23 ' A' ' 186' ' ' THR . 48.4 t80 -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 169' ' ' TYR . . . . . 0.775 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.6 m-85 -74.85 -21.37 59.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -72.97 -44.65 60.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.904 ' HB ' HD13 ' A' ' 150' ' ' ILE . 54.3 m -74.24 -37.68 63.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.484 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.832 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.0 -49.17 76.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 173' ' ' ARG . . . . . 0.518 ' N ' HD12 ' A' ' 172' ' ' LEU . 5.9 mtp180 -70.01 -6.05 30.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.723 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.461 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -68.84 -38.37 79.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.03 77.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.452 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -67.62 -45.83 74.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.7 OUTLIER -52.81 -41.84 64.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.921 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 1.1 HG22 HD13 ' A' ' 202' ' ' LEU . 24.4 t -73.51 -51.81 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.83 76.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 30.4 t30 -86.55 11.99 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -105.72 162.63 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -48.25 170.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.59 -52.21 41.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.4 t -54.04 -38.09 64.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -58.25 -43.97 88.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.39 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 73.6 m -65.23 -41.49 94.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.968 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.19 -37.31 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.366 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.1 HD13 HG22 ' A' ' 191' ' ' VAL . 5.6 mt -72.06 -31.82 66.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -68.1 -38.4 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.61 -29.24 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 205' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -61.76 -85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.95 155.24 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.58 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.02 52.67 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 209' ' ' ALA . . . . . 0.531 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.44 163.03 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 210' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.9 OUTLIER -67.97 150.44 48.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -43.81 62.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 212' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 210' ' ' THR . 10.8 tt0 -62.76 -34.29 76.93 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.406 ' CG ' HD21 ' A' ' 205' ' ' LEU . 0.4 OUTLIER -67.01 -45.52 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 54.9 mtm -61.85 -42.01 98.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 215' ' ' MET . . . . . 0.582 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.8 ttp -68.26 -34.24 75.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -38.09 84.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.02 -37.86 69.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 218' ' ' CYS . . . . . 0.675 ' O ' HG12 ' A' ' 221' ' ' VAL . 12.5 t -62.92 -44.37 96.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -26.17 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.25 -26.89 62.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 221' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.68 ' C ' HG21 ' A' ' 171' ' ' THR . 4.8 t -89.95 175.0 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.061 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.688 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.0 mm -78.12 -18.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.28 -34.83 79.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -19.67 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.834 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.3 98.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.84 170.97 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 3.3 mt-30 -81.52 93.5 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.83 161.87 17.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -63.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.523 1.802 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -77.21 -17.68 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.48 133.31 50.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.24 16.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.0 t80 -70.54 -26.99 63.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -46.6 79.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.42 -34.89 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 12.0 t80 -66.46 -43.17 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.76 -43.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.55 -43.88 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CD ' HG13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -63.54 -44.19 94.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.834 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.3 t80 -58.29 -47.07 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.782 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.62 -20.86 59.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -71.6 -45.26 62.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.688 ' HB ' HD13 ' A' ' 150' ' ' ILE . 32.7 m -74.55 -38.17 62.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.798 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.5 -45.0 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.7 6.09 25.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -96.12 -18.1 20.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 177' ' ' ALA . 17.0 tt0 -160.63 35.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.1 OUTLIER -38.0 97.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.99 157.14 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.211 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.481 ' CB ' HG22 ' A' ' 181' ' ' VAL . 1.1 t -178.26 155.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.078 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.14 -13.33 26.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.91 66.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.238 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 178' ' ' SER . 97.4 t -62.8 -41.17 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.344 1.028 . . . . 0.0 109.275 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -57.61 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -62.73 -29.31 70.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.713 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -135.0 99.71 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 6.5 p -39.96 -58.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.5 tm-20 -49.02 -37.71 21.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -67.71 -34.86 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -69.95 -46.41 65.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -58.0 -45.05 87.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.778 HG22 HD13 ' A' ' 202' ' ' LEU . 89.7 t -65.91 -46.4 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -65.03 -37.51 87.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 16.6 t-20 -88.01 6.29 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.51 157.97 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -47.44 174.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.384 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.97 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.23 -54.89 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.7 t -54.46 -37.83 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.655 1.222 . . . . 0.0 108.32 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.71 -44.24 90.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 79.4 m -65.0 -41.65 95.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.352 1.032 . . . . 0.0 110.437 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.99 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -38.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.778 HD13 HG22 ' A' ' 191' ' ' VAL . 5.9 mt -72.04 -33.18 67.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -66.98 -35.66 80.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -32.75 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.899 HD23 ' HB1' ' A' ' 209' ' ' ALA . 0.2 OUTLIER -53.94 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.3 160.3 22.22 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.383 1.052 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 56.69 4.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.75 54.66 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.899 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -79.59 160.24 26.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -79.96 155.04 27.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 210' ' ' THR . 19.7 mt-10 -61.5 -35.07 76.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.424 1.078 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 205' ' ' LEU . 5.2 tp10 -73.63 -38.21 65.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 68.0 mtm -65.45 -48.16 73.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -31.12 68.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 216' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 215' ' ' MET . 1.2 m -67.43 -39.12 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.99 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.23 -41.09 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.438 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.6 t -61.71 -45.35 94.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -27.13 68.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.21 -25.41 68.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER -47.54 140.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 222' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 223' ' ' GLY . . . 69.78 166.68 5.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.081 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 223' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 222' ' ' GLY . . . -37.2 97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -172.45 119.39 0.77 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -164.22 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.574 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.3 OUTLIER -41.03 134.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.54 112.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 179.61 169.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 72.5 t -122.36 148.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.418 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.537 0.208 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.8 ' O ' HG21 ' A' ' 171' ' ' THR . 4.7 t -117.94 110.8 18.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.727 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.0 mm -88.58 -20.69 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -30.72 71.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.97 -19.78 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -81.59 106.84 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.506 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 14.0 ttt-85 -148.3 151.58 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.2 pt20 -83.73 89.2 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -57.68 176.97 1.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -21.67 47.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -85.58 131.62 47.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.84 21.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 68.8 t80 -70.35 -30.44 67.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.67 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.96 -33.34 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 7.0 t80 -68.06 -41.42 82.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.3 t -67.49 -43.73 87.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.8 -44.61 86.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.07 -43.98 93.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.4 t80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.337 1.023 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.807 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -74.5 -21.84 59.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -73.14 -44.59 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.8 HG21 ' O ' ' A' ' 149' ' ' SER . 87.8 m -73.98 -35.27 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.07 -44.77 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -26.31 60.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.55 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.7 tp10 -151.27 44.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 175' ' ' GLU . 4.9 tp-100 -37.56 156.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.762 ' HB1' ' HG3' ' A' ' 182' ' ' LYS . . . -40.08 158.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 173.0 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -62.76 -38.06 89.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -108.38 24.57 12.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.56 -43.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.762 ' HG3' ' HB1' ' A' ' 177' ' ' ALA . 0.0 OUTLIER -54.55 -33.69 60.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -57.39 -32.09 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -91.98 118.94 31.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.063 . . . . 0.0 109.369 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.906 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -67.01 122.74 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.7 m -44.0 -60.71 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.9 60.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.906 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -64.07 -30.11 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.8 mt -70.73 -46.89 62.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.709 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -59.06 -43.36 91.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 1.02 HG22 HD23 ' A' ' 202' ' ' LEU . 88.0 t -67.82 -46.85 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.85 -37.95 89.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.45 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -87.75 6.59 34.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -98.7 156.12 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -50.75 174.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.95 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.576 1.829 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 201' ' ' ILE . 2.2 m-20 -50.9 -54.53 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.1 t -54.3 -37.89 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -46.18 89.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.0 m -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 1.011 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -38.31 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.02 HD23 HG22 ' A' ' 191' ' ' VAL . 4.7 mp -71.88 -32.13 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -68.37 -36.88 79.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.43 -28.21 41.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -63.97 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.88 156.18 15.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 142.78 53.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.594 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.52 161.22 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.9 OUTLIER -68.77 149.98 48.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 110.364 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.404 HD21 ' OH ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -51.45 -45.23 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 210' ' ' THR . 2.9 tm-20 -64.68 -34.49 78.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.512 ' CG ' HD21 ' A' ' 205' ' ' LEU . 2.1 tp10 -68.08 -42.88 79.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.5 mtp -63.25 -43.56 97.65 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.367 1.042 . . . . 0.0 111.021 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.614 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ttm -68.79 -33.39 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.09 85.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.011 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -71.98 -37.66 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.063 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.467 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.8 t -66.84 -43.63 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 108.357 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -61.81 -26.9 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.59 -23.06 71.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p -46.7 139.91 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 59.42 165.81 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 160.11 -57.08 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 226' ' ' HIS . 17.9 Cg_endo -74.98 167.96 25.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -46.92 93.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 226' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 224' ' ' PRO . 2.4 t60 -173.68 124.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 0.804 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.9 OUTLIER -123.33 159.48 28.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.62 133.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 179.62 161.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.9 p -96.25 142.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.327 -0.401 0 O-C-N 124.446 1.091 . . . . 0.0 109.193 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.764 ' O ' HG21 ' A' ' 171' ' ' THR . 5.3 t -101.53 72.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.623 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.6 mm -79.59 -18.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.9 -30.12 70.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.498 ' C ' HD12 ' A' ' 153' ' ' ILE . 40.2 t0 -72.17 -12.67 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.854 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -89.12 96.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 169.28 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.563 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -79.35 92.25 5.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.238 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -54.95 170.2 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.03 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -17.76 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.53 129.53 87.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.32 16.57 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 46.8 t80 -68.33 -33.82 74.99 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -59.73 -45.8 91.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.58 -37.03 84.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 11.7 t80 -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.428 HG21 HD21 ' A' ' 211' ' ' LEU . 3.2 t -67.0 -43.14 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -57.65 -42.18 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.854 ' CA ' HG21 ' A' ' 153' ' ' ILE . 46.7 t80 -58.44 -47.55 83.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.758 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.6 m-85 -76.12 -20.97 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -72.71 -44.62 61.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.764 HG21 ' O ' ' A' ' 149' ' ' SER . 68.1 m -74.43 -38.19 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.54 -50.27 73.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.541 ' N ' HD12 ' A' ' 172' ' ' LEU . 43.0 mtp85 -68.98 -7.97 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -78.75 -14.5 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 0.2 OUTLIER 174.33 53.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -37.85 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.47 152.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 181' ' ' VAL . 1.3 m -169.44 154.34 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -72.23 -12.88 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.82 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 25.6 mt-10 -139.16 53.6 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 178' ' ' SER . 92.7 t -65.29 -47.11 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -80.98 -34.09 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -82.47 4.45 24.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 180' ' ' GLU . . . -159.59 109.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -81.9 147.14 29.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 186' ' ' THR . 66.0 p -42.99 -67.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.2 pm0 -47.49 -30.3 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.411 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.658 ' CD1' ' HB1' ' A' ' 184' ' ' ALA . 1.4 mp -68.61 -46.51 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -57.73 -44.66 86.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.887 HG22 HD13 ' A' ' 202' ' ' LEU . 44.5 t -65.69 -45.94 90.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 15.7 t-20 -87.73 4.72 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.46 157.63 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -48.22 175.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.15 -54.57 24.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 202' ' ' LEU . 34.5 t -55.44 -37.05 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.355 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.4 -46.46 86.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 65.7 m -63.11 -43.06 99.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 1.052 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -63.82 -37.8 80.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.887 HD13 HG22 ' A' ' 191' ' ' VAL . 7.6 mt -72.1 -32.75 67.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -66.1 -36.59 83.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.63 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.942 HD11 ' HB2' ' A' ' 217' ' ' ALA . 1.5 mp -46.76 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.06 157.82 18.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.97 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.78 47.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.539 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.17 157.81 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 2.3 t -83.45 163.01 20.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.668 ' C ' HD13 ' A' ' 211' ' ' LEU . 1.9 tm? -53.63 -50.31 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -34.62 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.465 ' C ' HD21 ' A' ' 205' ' ' LEU . 2.2 tp10 -70.71 -42.68 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.469 ' HE2' HD23 ' A' ' 190' ' ' LEU . 26.1 mtp -64.37 -43.43 94.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 10.1 ttt -69.17 -35.37 76.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -38.54 86.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.457 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.052 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -36.74 68.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.624 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.6 t -67.93 -37.85 82.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -29.78 70.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -72.69 -26.24 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p -48.46 149.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.99 -166.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 101.58 -101.5 2.22 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -148.21 176.54 26.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.67 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 228' ' ' ALA . 2.4 tttm -123.18 116.93 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 227' ' ' LYS . . . -40.6 159.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -45.08 169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 110.251 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 14.3 p -80.26 141.16 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.641 ' O ' HG21 ' A' ' 171' ' ' THR . 8.0 t -101.43 172.58 6.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.546 ' HA ' HD13 ' A' ' 153' ' ' ILE . 8.4 mm -77.2 -18.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.23 -32.99 74.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.431 ' C ' HD12 ' A' ' 153' ' ' ILE . 19.2 t0 -68.47 -15.54 63.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.853 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.96 97.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.47 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.0 ptt180 -125.14 170.02 11.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.585 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tt0 -111.18 105.51 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.207 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.77 175.15 52.18 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -17.41 56.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 61.2 tt0 -75.4 133.69 74.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.405 1.066 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.1 Cg_endo -75.0 154.82 42.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 34.7 t80 -69.48 -30.01 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.0 -45.78 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.2 t80 -66.29 -43.02 87.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.601 1.188 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.79 -42.48 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -57.95 -42.99 86.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -44.72 85.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.853 ' CA ' HG21 ' A' ' 153' ' ' ILE . 41.3 t80 -58.31 -47.99 81.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.781 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.6 -20.58 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -72.66 -44.8 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.641 HG21 ' O ' ' A' ' 149' ' ' SER . 95.4 m -74.78 -37.75 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.787 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.51 -45.15 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.78 4.8 20.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -96.8 -15.56 21.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.3 OUTLIER -177.21 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 48.9 tt0 -37.12 101.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . 179.99 145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.361 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.612 ' CB ' HG23 ' A' ' 181' ' ' VAL . 3.0 t -165.59 167.56 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -15.03 17.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -177.87 72.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.612 HG23 ' CB ' ' A' ' 178' ' ' SER . 36.7 t -67.31 -42.39 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -58.14 -57.6 12.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.52 -31.6 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.379 1.049 . . . . 0.0 109.247 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.05 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.888 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -123.8 126.35 46.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -45.79 12.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.799 ' OE2' ' HB1' ' A' ' 185' ' ' ALA . 18.4 pm0 -67.03 -28.63 68.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.888 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -71.21 -41.36 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.4 OUTLIER -73.47 -45.79 52.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.645 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.7 OUTLIER -61.13 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 187' ' ' GLU . 46.5 t -69.74 -46.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' LEU . 12.0 t-20 -91.25 15.3 12.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.82 164.72 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.436 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -52.7 174.6 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.02 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.85 -54.25 25.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.8 t -54.45 -37.74 65.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 108.394 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -58.59 -46.59 86.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.5 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.447 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.963 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.01 -35.36 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 202' ' ' LEU . 0.0 OUTLIER -69.6 -34.3 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -39.12 84.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.11 45.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.844 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -65.6 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.21 149.74 7.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 57.32 4.5 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.97 44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.082 . . . . 0.0 111.054 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.58 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.39 162.8 24.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 9.3 t -88.83 161.59 16.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.2 OUTLIER -54.31 -33.67 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -39.88 94.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.571 ' CG ' HD21 ' A' ' 205' ' ' LEU . 1.7 tp10 -75.35 -37.14 60.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.13 -46.21 78.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -72.25 -32.58 66.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.319 1.012 . . . . 0.0 110.985 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 216' ' ' THR . . . . . 0.444 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -67.26 -38.96 85.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.963 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.32 -42.37 65.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.582 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.1 t -58.49 -41.73 85.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.82 -25.37 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.38 1.05 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.56 -29.88 57.24 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER -47.86 136.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 63.46 166.02 0.77 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 109.52 -85.52 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 69.74 5.53 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 112.83 66.19 0.49 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -40.8 111.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 0.772 . . . . 0.0 109.547 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 16.5 mttt -132.83 103.0 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.61 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -39.17 109.33 0.1 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 14.2 p -47.07 148.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.697 ' C ' HG21 ' A' ' 171' ' ' THR . 8.2 t -95.61 176.99 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.773 HD13 ' CG2' ' A' ' 171' ' ' THR . 4.1 mm -82.41 -18.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.672 1.232 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.04 -36.73 84.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.47 -21.53 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.827 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -81.54 99.73 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.406 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 2.1 ptt180 -129.34 167.82 17.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.8 tt0 -113.33 100.03 8.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -68.55 179.42 21.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -64.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -19.23 59.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.409 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 30.0 tt0 -64.03 137.47 97.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 159' ' ' GLU . 18.1 Cg_endo -75.05 142.09 27.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' A' ' 218' ' ' CYS . 18.5 t80 -66.76 -23.44 66.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.92 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -65.71 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 16.5 t80 -66.39 -43.17 86.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 211' ' ' LEU . 3.1 t -67.39 -43.15 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 170' ' ' LYS . 1.2 m-20 -59.37 -42.09 90.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -67.86 -44.89 76.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.827 ' CA ' HG21 ' A' ' 153' ' ' ILE . 43.5 t80 -58.68 -47.61 83.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.734 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -76.22 -21.1 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 166' ' ' ASP . 18.1 mtpt -71.99 -44.59 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.773 ' CG2' HD13 ' A' ' 150' ' ' ILE . 27.6 m -74.93 -39.01 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.38 -50.25 73.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.529 ' N ' HD12 ' A' ' 172' ' ' LEU . 3.4 mtm180 -66.34 -9.74 36.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -84.97 -7.21 59.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.0 OUTLIER -177.49 48.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 2.7 pt20 -37.5 114.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.236 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.48 142.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.501 ' CB ' HG23 ' A' ' 181' ' ' VAL . 0.1 OUTLIER -173.56 150.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.902 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.54 -12.73 61.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 184' ' ' ALA . 2.4 mt-10 -130.66 48.89 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.201 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.501 HG23 ' CB ' ' A' ' 178' ' ' SER . 14.5 t -75.15 -38.63 42.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -41.61 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.378 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ASN . . . . . 0.535 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 0.5 OUTLIER -99.73 -12.64 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 183' ' ' ASN . . . 73.37 110.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.381 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 188' ' ' THR . . . -106.56 20.95 18.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.733 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 110.408 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -43.17 27.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 185' ' ' ALA . 8.6 t -65.76 -36.77 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.8 OUTLIER -72.9 -46.94 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -59.76 -43.5 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 1.081 HG22 HD13 ' A' ' 202' ' ' LEU . 39.6 t -68.65 -47.14 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.3 -38.23 90.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 0.2 OUTLIER -88.16 11.51 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.415 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -101.6 156.63 17.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.466 ' ND2' ' HD2' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -48.41 175.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.239 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.466 ' HD2' ' ND2' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.96 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -51.06 -55.16 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.91 -38.04 67.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.03 -45.26 91.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 95.3 m -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.953 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.77 -37.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.081 HD13 HG22 ' A' ' 191' ' ' VAL . 10.4 mt -69.41 -34.84 75.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -36.3 79.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.41 -25.79 46.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.811 HD23 ' HB1' ' A' ' 209' ' ' ALA . 0.3 OUTLIER -58.24 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.31 154.7 11.98 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 56.66 4.37 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.525 1.803 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.42 45.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.811 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -80.42 159.22 25.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.3 t -93.2 160.01 15.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 165' ' ' VAL . 0.6 OUTLIER -52.22 -37.29 54.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.57 -46.73 89.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.624 ' HG3' HD21 ' A' ' 205' ' ' LEU . 2.1 tp10 -63.92 -36.63 84.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 4.4 mtt -63.05 -43.63 98.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.69 -35.39 77.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -37.5 85.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.953 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.16 -38.53 69.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.588 ' O ' HG12 ' A' ' 221' ' ' VAL . 10.7 t -63.87 -41.26 97.8 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.504 1.127 . . . . 0.0 108.363 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -28.38 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.75 -27.74 64.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -48.16 123.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.561 0.801 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 71.64 166.09 7.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 103.22 -142.31 15.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.92 11.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 99.99 -83.73 0.57 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.451 1.095 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.32 101.22 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 0.73 . . . . 0.0 109.632 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 228' ' ' ALA . 54.2 tttt -141.24 -62.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.17 113.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.7 148.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.25 135.85 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 148' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.695 ' C ' HG21 ' A' ' 171' ' ' THR . 33.2 t -98.11 -174.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.635 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.5 mm -79.6 -26.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -32.45 71.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.411 ' C ' HD12 ' A' ' 153' ' ' ILE . 1.0 OUTLIER -67.33 -19.4 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.404 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.82 99.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.529 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -125.52 168.59 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 -103.81 102.41 12.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -73.49 167.54 54.29 Favored Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.515 1.134 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -55.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.427 1.751 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -75.01 -21.47 59.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.122 . . . . 0.0 109.359 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.6 135.8 60.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.06 156.44 42.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.571 1.827 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 58.6 t80 -67.78 -30.52 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -61.45 -45.78 92.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.231 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -33.49 75.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 11.0 t80 -67.64 -41.16 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.56 -43.03 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.47 -45.88 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -43.79 98.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.3 t80 -58.52 -47.19 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.69 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.76 -20.13 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -71.71 -45.32 62.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.735 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 76.4 m -75.41 -39.36 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -48.18 79.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.209 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.467 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.61 -11.63 26.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -71.5 -16.56 62.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 0.2 OUTLIER 170.4 54.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -38.61 128.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . 179.92 139.74 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 181' ' ' VAL . 8.7 t -178.61 156.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -72.42 -12.28 61.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.93 ' HB3' ' HB2' ' A' ' 185' ' ' ALA . 0.2 OUTLIER -118.34 43.1 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 178' ' ' SER . 67.5 t -74.77 -37.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -53.11 -44.85 67.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.214 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 39.0 m-20 -99.17 -9.44 23.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 183' ' ' ASN . . . 71.81 106.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.385 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.93 ' HB2' ' HB3' ' A' ' 180' ' ' GLU . . . -95.09 21.05 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 2.6 p -70.86 -39.48 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 188' ' ' THR . 15.6 pm0 -75.84 -32.61 59.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.6 OUTLIER -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.34 -46.95 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.471 ' N ' ' CE2' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -57.3 -44.28 83.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.232 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' A' ' 194' ' ' ALA . 36.6 t -70.16 -47.62 66.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -60.23 -38.09 82.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.3 OUTLIER -89.76 15.53 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -91.65 165.58 13.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.409 1.068 . . . . 0.0 109.399 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.481 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -54.13 176.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.99 -52.83 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.3 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.02 -36.86 65.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -57.62 -45.8 84.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.3 m -63.4 -42.15 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.968 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.88 -37.09 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 202' ' ' LEU . 0.3 OUTLIER -72.39 -34.36 67.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -37.8 88.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -80.08 -28.38 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.739 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -66.68 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 170.62 155.01 9.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 57.63 4.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.63 54.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.739 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.97 160.01 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.87 155.96 40.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -50.37 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -35.44 77.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.652 ' HG3' HD21 ' A' ' 205' ' ' LEU . 10.1 tp10 -68.23 -44.88 74.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.213 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 19.3 mtm -63.11 -41.46 99.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.25 -33.37 71.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -39.3 85.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.21 -39.03 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.442 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.7 t -64.41 -45.43 87.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.54 71.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 197' ' ' ASP . 1.0 OUTLIER -47.93 117.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 60.91 165.78 0.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -172.22 -83.25 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.34 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 131.39 60.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -98.94 77.25 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -73.98 64.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.403 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.74 136.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.408 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.65 153.25 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.09 146.83 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.6 0.238 . . . . 0.0 110.447 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.573 ' C ' HG21 ' A' ' 171' ' ' THR . 3.6 t -101.55 177.67 4.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.345 1.028 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.836 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.1 mm -79.13 -19.32 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.89 -37.82 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.98 -21.21 65.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.225 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.845 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -82.79 92.56 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.08 169.97 14.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.69 92.67 4.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.118 . . . . 0.0 110.22 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -57.77 166.59 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -17.92 60.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -76.53 131.83 73.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 170.85 19.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 56.2 t80 -70.34 -27.17 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -66.59 -46.58 75.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.57 -40.27 92.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.433 ' OH ' ' O ' ' A' ' 190' ' ' LEU . 5.1 t80 -62.8 -43.18 99.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.693 HG11 HD11 ' A' ' 211' ' ' LEU . 4.1 t -63.89 -41.85 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -42.81 83.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.24 -42.87 96.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.845 ' CA ' HG21 ' A' ' 153' ' ' ILE . 52.9 t80 -58.2 -47.62 82.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.839 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -74.45 -21.52 59.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.92 -44.63 61.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.836 ' CG2' HD13 ' A' ' 150' ' ' ILE . 45.4 m -74.62 -35.85 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.579 1.175 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -56.98 -45.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -62.86 -13.9 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -131.16 29.06 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.364 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.42 60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.234 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 177' ' ' ALA . 1.0 OUTLIER 179.55 89.64 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.586 1.179 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . -179.87 79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.37 170.34 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -70.27 -26.03 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.381 1.051 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -97.18 24.43 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.405 ' CG1' ' HG2' ' A' ' 176' ' ' GLN . 96.8 t -113.74 -40.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -55.54 -32.94 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.619 1.199 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.86 -31.93 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.05 90.85 5.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.772 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -50.43 101.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 185' ' ' ALA . 29.9 m -38.8 -57.73 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -51.55 -40.14 59.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.203 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.772 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -65.11 -29.8 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.39 -47.36 61.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.651 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -58.7 -43.52 90.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.584 1.178 . . . . 0.0 109.34 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 202' ' ' LEU . 55.1 t -67.53 -46.81 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.89 -40.3 96.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.72 7.97 18.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -100.81 159.56 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.3 OUTLIER -46.34 171.41 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 3.7 m-20 -52.58 -49.49 64.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.5 t -54.0 -37.05 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -58.1 -43.92 87.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.412 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.5 m -65.65 -41.57 92.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.959 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.95 -38.93 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 191' ' ' VAL . 4.3 mt -69.37 -33.73 73.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.48 -34.93 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.08 -28.75 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -58.73 -87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.27 152.43 9.95 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.591 1.182 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 56.93 4.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.408 1.741 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.56 44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.24 161.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 15.0 t -89.98 152.67 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.693 HD11 HG11 ' A' ' 165' ' ' VAL . 8.5 tt -45.81 -36.66 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -44.36 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.453 ' HG2' ' CD2' ' A' ' 205' ' ' LEU . 0.6 OUTLIER -67.68 -42.11 82.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 2.7 mtt -63.14 -42.14 99.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.586 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.4 ttt -69.31 -35.11 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -37.75 83.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.959 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.51 -37.92 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.608 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.5 t -63.54 -41.97 98.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 108.333 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -24.52 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.45 -32.98 45.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.422 1.076 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER -47.17 148.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 109.235 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.71 -165.74 0.18 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -169.03 156.87 28.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.9 32.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.808 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -58.41 -58.96 11.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -46.13 142.68 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 0.74 . . . . 0.0 109.574 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -169.38 111.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.21 -63.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 179.71 148.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 76.0 t -116.93 139.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.552 ' O ' HG21 ' A' ' 171' ' ' THR . 0.3 OUTLIER -101.04 165.88 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.722 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.8 mm -77.96 -16.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -67.0 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.401 ' C ' HD12 ' A' ' 153' ' ' ILE . 2.5 t70 -70.01 -15.42 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.832 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.23 90.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.455 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.1 ptt85 -117.58 163.64 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 -105.59 100.15 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -72.35 175.3 43.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -75.22 -20.74 59.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -75.2 129.77 81.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 157.74 42.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD1' ' SG ' ' A' ' 218' ' ' CYS . 20.2 t80 -67.4 -28.79 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -65.12 -46.79 79.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.6 -34.43 76.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 17.7 t80 -65.76 -42.03 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 8.6 t -68.86 -41.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.91 -41.49 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -44.76 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.832 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.2 t80 -58.82 -47.26 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.66 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -76.19 -21.33 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -72.57 -44.56 61.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.722 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.4 m -73.67 -38.59 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.82 -45.21 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.61 1.22 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -87.46 -21.39 25.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER -172.82 39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.478 ' HB3' HD12 ' A' ' 172' ' ' LEU . 6.9 pt20 -38.07 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.396 1.06 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.95 124.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.4 ' CB ' HG23 ' A' ' 181' ' ' VAL . 0.2 OUTLIER 177.02 143.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.488 ' O ' ' ND2' ' A' ' 183' ' ' ASN . 0.0 OUTLIER -59.61 -15.19 17.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.965 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 19.2 pt-20 -108.67 31.16 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 178' ' ' SER . 3.2 t -85.53 -66.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -45.03 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 179' ' ' GLN . 26.7 m-80 -57.48 -29.41 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.965 ' HB3' ' O ' ' A' ' 180' ' ' GLU . . . -108.29 157.34 18.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.806 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -102.75 124.57 48.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.402 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.449 ' HG1' ' HE1' ' A' ' 168' ' ' PHE . 0.0 OUTLIER -45.25 -45.22 11.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.407 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.8 tp10 -64.31 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.806 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -70.46 -39.73 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.445 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.25 -46.3 67.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.5 tp -56.89 -46.5 81.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.629 HG22 HD13 ' A' ' 202' ' ' LEU . 63.1 t -66.09 -45.13 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.53 -37.22 86.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.531 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -90.28 6.01 44.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -94.54 156.29 16.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.485 ' ND2' ' HD2' ' A' ' 196' ' ' PRO . 0.8 OUTLIER -45.72 169.73 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.485 ' HD2' ' ND2' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.02 -52.1 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 201' ' ' ILE . 5.0 m-20 -51.13 -49.23 61.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.6 t -54.24 -37.21 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 108.247 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.8 m -64.36 -40.92 96.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.89 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -65.11 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.629 HD13 HG22 ' A' ' 191' ' ' VAL . 8.1 mt -72.39 -27.8 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -70.21 -44.82 67.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.57 -36.7 60.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.88 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -56.82 -72.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.774 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 177.41 141.74 4.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.29 4.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.756 . . . . 0.0 111.021 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 130.34 46.25 0.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.88 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -75.73 167.65 21.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.63 174.34 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.54 -33.93 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 205' ' ' LEU . 0.8 OUTLIER -71.92 -42.88 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 187' ' ' GLU . 2.3 mmt -63.73 -42.19 97.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.523 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 19.4 mtp -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -40.55 94.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.89 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -46.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.589 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 4.4 t -57.58 -36.16 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -25.81 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.73 -24.51 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p -45.53 127.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.215 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 66.78 165.67 2.24 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 101.65 -101.51 2.22 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 85.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.537 1.809 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 154.86 -136.5 5.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -135.99 173.69 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.521 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -168.93 153.35 5.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.74 96.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.611 1.195 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.72 96.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 11.6 p -78.47 138.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.19 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 171' ' ' THR . 1.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.741 ' C ' HG21 ' A' ' 171' ' ' THR . 4.8 t -94.38 178.01 5.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' A' ' 171' ' ' THR . 8.1 mm -73.67 -20.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -38.54 90.86 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.88 -24.77 66.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.619 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.1 mp -77.09 103.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 166.99 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.231 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 1.6 mt-30 -79.58 85.84 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -55.94 172.41 1.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -16.63 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -79.58 119.55 77.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.088 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.57 8.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.1 t80 -66.24 -34.86 78.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -59.81 -45.44 92.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.83 -33.48 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.471 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 16.9 t80 -68.84 -38.16 79.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.78 -45.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.55 -43.63 84.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -44.51 90.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.59 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.4 t80 -58.33 -47.44 83.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.675 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.68 -21.3 59.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -72.74 -44.78 61.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.741 HG21 ' C ' ' A' ' 149' ' ' SER . 47.8 m -74.39 -37.24 63.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.815 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.44 -46.73 83.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -74.07 -6.08 45.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.282 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -80.09 -16.03 55.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.2 tt0 174.45 54.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.0 OUTLIER -38.0 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.93 152.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.62 ' HB3' HG23 ' A' ' 181' ' ' VAL . 7.9 t -166.28 145.27 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -66.62 -13.14 60.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.675 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 22.2 mt-10 -139.19 52.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 178' ' ' SER . 3.2 t -65.48 -47.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -77.41 -37.44 51.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -2.91 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 189' ' ' LEU . . . -157.38 105.87 2.11 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -76.12 170.76 15.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -59.29 -71.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.481 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.3 pt-20 -47.53 -29.08 2.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.189 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -70.93 -38.18 72.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.16 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 184' ' ' ALA . 0.2 OUTLIER -71.77 -46.3 58.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.21 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.57 -44.0 93.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 187' ' ' GLU . 78.2 t -67.33 -46.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.53 -38.25 90.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.368 1.042 . . . . 0.0 110.245 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.435 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -86.4 7.71 24.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.34 158.02 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -47.18 172.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.03 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 21.0 m-20 -52.61 -49.29 65.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.0 t -54.23 -37.16 64.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 108.365 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -58.17 -46.51 85.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 64.6 m -62.74 -41.01 98.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 1.014 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -66.21 -36.29 77.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.469 1.105 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.752 HD23 HD22 ' A' ' 205' ' ' LEU . 0.5 OUTLIER -72.05 -27.64 62.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -72.54 -47.9 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.99 -25.66 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -66.89 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.678 ' H ' HD23 ' A' ' 205' ' ' LEU . . . 179.84 141.02 4.42 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.581 1.176 . . . . 0.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 131.78 49.34 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.888 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.38 167.84 19.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 13.1 t -75.95 159.0 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.7 OUTLIER -47.08 -43.47 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.75 -44.01 85.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.71 ' HB3' ' HB1' ' A' ' 209' ' ' ALA . 0.8 OUTLIER -67.6 -40.08 84.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 6.7 mtt -62.92 -42.83 99.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.576 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.76 -31.68 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 110.962 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -40.04 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.014 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.11 -46.27 57.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.431 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.3 t -55.2 -42.52 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.335 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.8 -24.67 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.03 -22.93 64.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p -45.32 149.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 63.2 166.1 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -149.85 -77.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.03 19.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -46.93 165.4 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.08 126.99 8.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 0.816 . . . . 0.0 109.633 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.9 OUTLIER -43.42 153.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.6 130.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.19 150.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.6 p -102.69 140.86 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.569 ' C ' HG21 ' A' ' 171' ' ' THR . 8.5 t -100.25 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.768 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -78.92 -18.49 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.77 -34.18 77.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.439 ' C ' HD12 ' A' ' 153' ' ' ILE . 4.4 t70 -67.1 -15.62 63.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.829 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -86.9 78.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.5 168.44 13.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.01 94.5 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.77 -170.03 3.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -89.91 5.11 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -88.5 113.1 54.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.201 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -178.95 4.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 15.2 t80 -70.55 -32.49 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.71 -45.14 95.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.77 -33.31 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.449 ' HE1' HD12 ' A' ' 190' ' ' LEU . 3.5 t80 -67.78 -41.96 82.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.73 -45.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.212 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -58.84 -43.79 90.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.49 -44.06 79.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.829 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.6 t80 -58.35 -48.12 81.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.854 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.62 -21.95 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -73.15 -44.36 60.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.768 ' CG2' HD13 ' A' ' 150' ' ' ILE . 96.5 m -74.12 -36.48 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -56.95 -46.83 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.412 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 172' ' ' LEU . 15.0 mtt85 -77.29 1.06 19.84 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -110.15 0.63 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 179.96 58.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.348 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.412 ' OE1' HG22 ' A' ' 181' ' ' VAL . 0.5 OUTLIER 179.45 112.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.45 112.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.61 171.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.35 -13.8 22.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -90.77 24.44 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.412 HG22 ' OE1' ' A' ' 176' ' ' GLN . 4.6 t -89.11 -45.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -43.56 75.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.03 -31.23 72.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -78.93 111.66 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.487 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -79.2 86.52 4.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.406 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -52.68 -27.62 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.466 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -33.81 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.487 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -70.56 -35.95 73.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.8 mt -74.09 -46.86 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.784 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.62 -41.98 82.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.981 HG22 HD13 ' A' ' 202' ' ' LEU . 24.6 t -73.06 -47.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.28 -46.66 89.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 8.2 t30 -77.14 0.42 21.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.16 163.13 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -45.02 168.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.065 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -52.93 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.406 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.7 OUTLIER -51.37 -51.0 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.44 ' O ' HD12 ' A' ' 202' ' ' LEU . 12.0 t -54.28 -37.31 64.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.75 88.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.383 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.6 m -65.08 -41.61 94.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.951 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.78 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.981 HD13 HG22 ' A' ' 191' ' ' VAL . 3.9 mt -69.56 -31.47 69.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -39.64 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.248 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.8 62.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.8 OUTLIER -52.36 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.44 155.4 12.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.689 1.243 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 57.81 4.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 45.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.647 1.217 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.66 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -79.54 158.21 27.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -91.65 152.68 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.43 HD21 ' CZ ' ' A' ' 169' ' ' TYR . 2.9 mp -44.42 -37.0 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.54 -43.76 98.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.526 ' HG3' HD21 ' A' ' 205' ' ' LEU . 4.2 tp10 -68.8 -42.19 77.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.465 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 2.7 mtt -62.66 -43.01 99.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.563 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -68.74 -35.58 77.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -38.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.951 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.29 -36.4 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.501 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -66.23 -41.99 89.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.88 -25.6 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.58 -28.25 59.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER -46.9 149.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.737 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.47 -166.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 104.33 -97.65 1.43 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 133.83 17.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.592 1.838 . . . . 0.0 111.044 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 48.58 -170.7 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.579 1.174 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -84.57 162.52 19.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 52.1 pttt -116.58 -39.5 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.58 112.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.27 111.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.8 p -45.2 146.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 148' ' ' THR . 1.1 t . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.587 0.232 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.504 ' C ' HG21 ' A' ' 171' ' ' THR . 9.3 t -98.21 169.62 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.742 HD13 ' HB ' ' A' ' 171' ' ' THR . 2.6 mm -73.09 -19.23 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.61 -36.85 85.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.209 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.7 -21.71 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.633 1.208 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -80.94 100.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.42 164.23 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.615 ' OE1' ' HB1' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -73.01 90.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.65 -179.89 3.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.429 1.752 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -77.05 -14.62 59.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.381 1.051 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.58 121.5 83.71 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 176.53 9.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.9 t80 -67.48 -36.02 80.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.51 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.64 -35.62 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.72 -40.75 84.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.59 -44.11 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -57.43 -44.83 85.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.92 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 51.2 t80 -58.14 -47.44 83.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.814 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.0 m-85 -73.93 -21.31 60.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -72.4 -45.02 61.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.742 ' HB ' HD13 ' A' ' 150' ' ' ILE . 75.7 m -74.43 -36.42 63.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.34 -48.54 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.475 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -79.83 3.49 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -89.69 -20.92 23.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.8 OUTLIER -170.65 37.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.5 OUTLIER -38.5 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.79 160.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.773 ' HB2' HG22 ' A' ' 181' ' ' VAL . 0.2 OUTLIER -168.4 163.2 12.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.22 -14.35 62.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 66.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.773 HG22 ' HB2' ' A' ' 178' ' ' SER . 52.4 t -60.14 -37.74 74.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.27 -52.3 61.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.72 -31.42 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 181' ' ' VAL . . . -77.15 157.95 30.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.673 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -138.04 132.62 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.774 HG23 ' HE1' ' A' ' 168' ' ' PHE . 1.4 m -62.22 -69.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.4 -39.46 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.673 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -66.02 -35.41 80.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 186' ' ' THR . 4.1 mt -67.54 -46.93 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.6 tp -58.02 -42.8 86.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.503 HG22 HD22 ' A' ' 202' ' ' LEU . 38.3 t -65.97 -48.98 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.049 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.93 92.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 189' ' ' LEU . 17.5 t-20 -88.14 12.92 12.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.398 1.061 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -108.03 148.46 29.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.2 OUTLIER -42.18 164.76 0.1 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.345 1.028 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.06 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.567 1.824 . . . . 0.0 110.986 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -45.98 45.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 44.3 t -58.41 -36.64 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -47.03 84.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -42.23 98.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.968 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -41.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.387 1.054 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.599 HD12 HD22 ' A' ' 205' ' ' LEU . 4.2 tp -69.14 -25.19 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -71.17 -47.62 56.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.89 -19.44 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.388 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.89 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.2 OUTLIER -84.94 -72.55 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.89 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 179.85 131.62 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.47 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.498 1.788 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.94 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.824 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.48 169.25 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 0.748 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 159.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -49.81 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.93 -31.75 68.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.836 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.9 OUTLIER -67.94 -45.29 74.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 53.3 mtm -63.61 -43.82 95.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.566 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.4 ttp -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.06 -40.59 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -70.35 -39.37 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.617 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.1 t -62.54 -43.7 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 108.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -25.34 67.25 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.57 -25.97 62.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.4 p -48.1 150.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.95 -165.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 80.33 101.6 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 162.09 37.88 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -109.77 -137.95 7.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 176.34 9.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.58 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.1 OUTLIER -129.48 172.14 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.66 164.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.67 163.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 67.6 t -129.84 125.1 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.72 ' C ' HG21 ' A' ' 171' ' ' THR . 6.6 t -101.37 79.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.958 ' HA ' HD13 ' A' ' 153' ' ' ILE . 5.8 mm -78.7 -16.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -27.78 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.1 -7.07 53.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.958 HD13 ' HA ' ' A' ' 150' ' ' ILE . 3.0 mp -94.12 97.49 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 7.2 ttt180 -128.58 162.42 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.579 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 -101.43 93.47 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -66.48 172.11 28.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -74.86 -21.91 58.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 32.8 tt0 -74.1 132.22 79.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.4 Cg_endo -75.01 144.84 30.67 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 38.9 t80 -55.13 -31.4 61.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -62.1 -45.48 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.27 -36.97 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 12.4 t80 -64.52 -41.65 96.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.8 -42.19 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.57 -41.6 81.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -66.74 -44.91 80.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.808 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.3 t80 -58.84 -47.65 84.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.785 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -76.25 -20.19 57.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.357 1.036 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -46.26 57.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.751 ' CG2' HD13 ' A' ' 150' ' ' ILE . 31.5 m -75.96 -33.05 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -55.09 -39.47 69.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -58.2 -21.15 46.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.0 15.32 24.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.3 tm-20 -154.37 46.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 175' ' ' GLU . 6.3 tp-100 -34.92 150.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.614 1.196 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.442 ' HB1' ' CG2' ' A' ' 181' ' ' VAL . . . -41.63 161.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 181' ' ' VAL . 0.2 OUTLIER -143.57 175.69 9.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -60.26 -14.04 15.83 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.6 OUTLIER -96.47 29.54 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 178' ' ' SER . 2.2 t -66.46 -49.69 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -33.35 65.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -86.0 -25.81 25.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -84.42 157.7 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.852 ' HB1' ' HB ' ' A' ' 188' ' ' THR . . . -144.72 96.72 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.727 HG23 ' HE1' ' A' ' 168' ' ' PHE . 1.6 m -62.48 -59.94 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 191' ' ' VAL . 2.0 tm-20 -53.45 -47.05 70.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.852 ' HB ' ' HB1' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.6 mt -72.57 -47.03 51.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.643 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.7 tp -59.35 -44.4 92.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.987 HG13 HD13 ' A' ' 202' ' ' LEU . 58.4 t -68.9 -44.69 81.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -37.59 87.67 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 15.1 t-20 -88.1 6.63 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -96.52 158.62 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.475 ' ND2' ' HD2' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -49.35 175.51 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.427 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.475 ' HD2' ' ND2' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -74.96 -52.94 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.43 1.752 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 201' ' ' ILE . 1.5 m-20 -51.48 -54.55 25.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.63 -37.3 65.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.504 1.127 . . . . 0.0 108.36 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -58.21 -44.82 88.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.7 m -64.91 -41.91 95.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.976 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.1 -35.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.09 . . . . 0.0 109.356 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.987 HD13 HG13 ' A' ' 191' ' ' VAL . 6.9 mt -70.11 -35.24 73.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -68.45 -35.52 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -27.97 43.18 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -54.84 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 173.75 154.93 11.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.89 4.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.62 45.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.681 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -78.85 159.93 27.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 0.781 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.3 t -91.28 160.6 15.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.467 HD21 ' OH ' ' A' ' 169' ' ' TYR . 1.5 mm? -51.43 -40.48 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.87 -39.74 86.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.506 ' HG3' HD21 ' A' ' 205' ' ' LEU . 3.2 tp10 -70.27 -38.54 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 1.2 mtt -65.06 -44.34 89.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.579 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 23.3 ttp -70.92 -34.19 71.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -39.0 86.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.976 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.35 -39.68 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.528 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.8 t -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.61 67.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.209 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.46 -29.33 55.96 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER -46.55 121.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 65.97 166.04 1.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.427 1.079 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 223' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 224' ' ' PRO . . . 147.18 -56.35 0.51 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 224' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 223' ' ' GLY . 18.5 Cg_endo -74.95 74.81 3.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 129.07 -153.22 19.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -132.88 106.66 7.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 109.624 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 161.3 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -40.38 129.03 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.71 114.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 86.0 t -133.42 131.95 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.583 0.23 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.691 ' OG ' HD23 ' A' ' 151' ' ' LEU . 2.2 t -102.05 159.1 15.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 110.056 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.632 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.9 mm -80.93 -16.69 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.691 HD23 ' OG ' ' A' ' 149' ' ' SER . 1.3 pp -67.33 -29.47 69.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.434 ' C ' HD12 ' A' ' 153' ' ' ILE . 20.8 t0 -73.8 -13.53 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.4 105.99 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.4 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -140.02 167.1 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? -115.43 112.0 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -74.11 173.92 50.06 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.391 1.732 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -91.27 -18.59 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 41.2 tt0 -80.59 140.64 51.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 159' ' ' GLU . 18.2 Cg_endo -75.07 152.71 40.79 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 72.8 t80 -70.51 -23.58 62.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -67.37 -46.62 72.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -35.47 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.525 ' CG ' ' HB2' ' A' ' 155' ' ' GLN . 11.2 t80 -65.65 -47.08 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.19 -43.56 96.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -58.0 -43.26 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -44.29 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 53.8 t80 -58.25 -47.07 84.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.642 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.2 -21.71 58.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -44.37 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.649 HG21 ' O ' ' A' ' 149' ' ' SER . 92.4 m -73.89 -39.54 63.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.16 -47.09 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -9.46 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -72.21 -22.75 61.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.4 OUTLIER -164.64 37.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.7 OUTLIER -38.21 97.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.79 158.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 7.8 t -177.11 160.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -13.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.2 OUTLIER -166.43 67.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.84 -40.55 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -44.26 97.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.6 -28.46 60.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -65.53 158.72 26.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -131.43 93.52 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 25.5 p -51.77 -45.24 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.697 ' O ' HG23 ' A' ' 191' ' ' VAL . 19.8 tp10 -58.5 -38.49 77.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.472 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -68.07 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.3 mt -69.59 -47.27 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.199 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -57.56 -44.14 85.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 187' ' ' GLU . 85.0 t -66.53 -47.15 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.83 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -92.15 17.42 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -114.08 155.47 25.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.483 ' ND2' HE22 ' A' ' 155' ' ' GLN . 5.2 p-10 -41.38 162.17 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.01 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.14 -46.51 45.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.454 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 49.3 t -57.45 -36.27 71.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -63.12 -42.67 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.957 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.27 -36.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.409 HD13 HG22 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -69.56 -33.01 72.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -67.31 -41.21 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.36 54.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -66.71 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.88 154.81 13.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.38 4.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.58 55.07 0.06 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.539 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.42 165.87 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 0.723 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -74.24 152.8 39.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.333 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.91 -44.68 60.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 210' ' ' THR . 1.4 tt0 -61.26 -33.88 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.516 ' HG2' HD21 ' A' ' 205' ' ' LEU . 3.3 tt0 -72.19 -42.42 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -64.76 -47.21 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.609 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.4 ptt? -68.3 -31.64 71.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.1 m -67.83 -38.74 83.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.957 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -71.87 -38.55 70.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.581 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.9 t -63.04 -47.03 84.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -62.02 -29.59 70.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.18 -26.78 69.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p -45.94 148.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.3 -165.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -176.61 166.74 37.81 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.56 21.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 108.31 175.64 21.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -149.03 -61.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 228' ' ' ALA . 4.5 tttt -55.09 112.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.26 123.66 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -42.42 134.77 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.7 102.91 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 148' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.58 0.229 . . . . 0.0 110.464 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.622 ' C ' HG21 ' A' ' 171' ' ' THR . 6.4 t -95.27 176.35 6.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.807 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.1 mm -79.95 -20.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.08 -40.27 93.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.52 -24.7 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.827 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -80.88 96.61 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.192 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -134.57 170.68 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 16.9 mt-30 -83.21 95.71 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.7 175.3 12.73 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -71.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.822 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -15.71 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.79 126.59 89.45 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.393 1.058 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.43 24.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.9 t80 -68.55 -30.71 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 111.003 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -46.18 86.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -66.63 -37.09 84.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.259 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 8.6 t80 -65.32 -42.0 93.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.688 HG11 HD21 ' A' ' 211' ' ' LEU . 3.7 t -66.08 -42.27 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -57.59 -44.0 85.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.461 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.2 OUTLIER -63.72 -43.33 96.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.827 ' CA ' HG21 ' A' ' 153' ' ' ILE . 51.6 t80 -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.793 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.16 -21.6 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -72.92 -44.4 61.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.807 ' CG2' HD13 ' A' ' 150' ' ' ILE . 57.2 m -74.2 -37.2 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.49 -50.34 73.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 172' ' ' LEU . 1.0 OUTLIER -68.27 -8.16 37.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -75.06 -17.54 60.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.64 46.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.538 ' O ' HD12 ' A' ' 172' ' ' LEU . 0.8 OUTLIER 179.28 151.99 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.229 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.09 70.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.769 ' HA ' HG23 ' A' ' 181' ' ' VAL . 1.6 t 67.89 33.8 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.61 1.194 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 180' ' ' GLU . 0.0 OUTLIER -73.87 -30.8 62.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 179' ' ' GLN . 13.3 mt-10 -164.54 54.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.769 HG23 ' HA ' ' A' ' 178' ' ' SER . 55.6 t -52.18 -39.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.61 73.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 180' ' ' GLU . 14.7 t-20 -79.67 -15.2 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -171.1 109.06 0.3 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.953 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -80.57 122.89 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.7 p -45.1 -46.23 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.7 pm0 -65.25 -30.58 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.953 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -71.05 -43.6 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.3 mt -68.67 -46.46 69.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.671 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -57.98 -44.13 86.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.939 HG22 HD13 ' A' ' 202' ' ' LEU . 42.1 t -65.71 -47.64 85.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -38.01 89.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.3 OUTLIER -89.35 13.81 12.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.198 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -103.14 158.98 15.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -48.16 175.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.06 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.829 . . . . 0.0 110.992 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.9 OUTLIER -51.76 -54.08 32.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 202' ' ' LEU . 20.5 t -54.58 -37.5 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.61 -44.52 89.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.9 m -65.15 -41.85 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.951 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -38.69 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.201 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.939 HD13 HG22 ' A' ' 191' ' ' VAL . 5.6 mt -72.4 -29.9 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -70.3 -35.44 73.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.56 -31.1 41.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.831 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -53.26 -84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 164.57 155.49 8.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.34 4.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 167.01 40.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.619 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.02 157.35 26.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 212' ' ' GLU . 7.6 p -101.36 -172.01 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.688 HD21 HG11 ' A' ' 165' ' ' VAL . 1.6 tm? -70.95 -55.39 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 213' ' ' GLU . 1.2 pp20? -54.24 -42.25 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.524 ' HG3' HD21 ' A' ' 205' ' ' LEU . 1.2 tp10 -67.36 -44.22 79.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.85 -42.3 98.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.559 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.41 -32.68 70.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -40.05 89.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.951 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.67 -40.29 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.419 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.8 t -64.81 -38.33 90.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.78 -27.69 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.335 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.19 -25.93 69.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.5 OUTLIER -48.01 152.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.96 -166.64 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 108.09 -90.39 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 170.67 19.9 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.559 1.821 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -111.98 -154.65 12.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.362 1.039 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -179.62 176.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.658 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -117.67 113.17 21.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -40.78 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.64 117.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 110.286 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.71 151.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.546 0.213 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.624 ' C ' HG21 ' A' ' 171' ' ' THR . 8.5 t -98.64 174.91 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 0.0 109.99 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.574 ' HA ' HD13 ' A' ' 153' ' ' ILE . 6.8 mm -73.79 -19.08 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -32.66 74.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.458 ' C ' HD12 ' A' ' 153' ' ' ILE . 21.6 t70 -68.41 -14.8 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.838 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -87.25 96.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.519 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 8.5 mtt85 -122.23 164.03 18.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 4.6 tt0 -100.69 99.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.03 165.21 54.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -50.05 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.768 . . . . 0.0 111.084 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -24.57 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -81.81 134.25 50.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 157.05 43.23 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.602 1.843 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 57.0 t80 -63.53 -29.91 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.194 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -34.21 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 155' ' ' GLN . 14.7 t80 -67.21 -38.92 86.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.9 t -70.79 -41.92 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.68 -44.9 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -44.34 88.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.838 ' CA ' HG21 ' A' ' 153' ' ' ILE . 46.8 t80 -58.19 -47.83 82.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.941 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.38 -21.0 58.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -72.28 -45.19 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.624 HG21 ' C ' ' A' ' 149' ' ' SER . 53.0 m -74.84 -36.58 62.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.941 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -57.06 -42.05 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.94 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -133.37 26.76 4.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.57 54.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.265 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.423 ' CG ' HG12 ' A' ' 181' ' ' VAL . 0.0 OUTLIER 179.27 131.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.65 87.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.473 ' CB ' ' HB ' ' A' ' 181' ' ' VAL . 0.3 OUTLIER -139.29 172.41 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.098 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -58.86 -30.24 67.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.851 ' C ' ' HB3' ' A' ' 184' ' ' ALA . 0.1 OUTLIER -155.4 62.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.245 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 178' ' ' SER . 39.5 t -134.65 -45.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.553 ' HG2' HD11 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -54.14 -57.52 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.03 -31.28 12.23 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.851 ' HB3' ' C ' ' A' ' 180' ' ' GLU . . . -87.72 148.24 24.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 66.1 10.29 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -60.07 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 191' ' ' VAL . 9.6 pm0 -60.87 -29.1 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.39 -42.44 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -59.15 -44.07 92.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 187' ' ' GLU . 56.0 t -66.13 -46.39 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.7 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.2 t-20 -87.48 8.98 22.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.59 166.69 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.27 172.71 0.27 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.6 1.187 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -52.54 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -51.58 -50.7 59.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -54.22 -37.91 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.46 -43.37 88.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 85.0 m -65.22 -40.69 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.793 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.7 OUTLIER -63.74 -46.18 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.719 HD13 HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -68.96 -24.43 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -73.4 -49.32 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.389 1.056 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.5 -18.71 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 1.081 HD21 ' HB2' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -78.62 -68.46 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.609 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 166.21 133.45 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 57.17 4.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 164.57 41.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.596 1.185 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 1.081 ' HB2' HD21 ' A' ' 205' ' ' LEU . . . -80.95 162.12 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 213' ' ' GLU . 10.1 t -92.43 154.79 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.9 OUTLIER -39.59 -37.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.59 -51.57 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.754 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.0 OUTLIER -66.06 -38.43 88.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.234 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.604 ' HE2' ' HB3' ' A' ' 209' ' ' ALA . 1.4 mtt -63.51 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.6 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.9 -33.05 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -40.22 88.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.793 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.72 -41.91 67.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.513 ' HG ' ' HD1' ' A' ' 161' ' ' PHE . 5.8 t -61.3 -40.2 93.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.79 -24.65 66.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.282 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.26 -25.26 61.85 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.553 1.158 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -46.18 146.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.195 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 65.07 165.93 1.27 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 56.88 -127.57 44.95 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.71 34.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 148.51 -100.6 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -143.97 163.99 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.572 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.2 OUTLIER -92.44 131.47 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.382 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.33 149.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.64 148.23 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.357 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.82 137.96 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 171' ' ' THR . 1.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.516 ' C ' HG21 ' A' ' 171' ' ' THR . 3.1 t -86.1 177.15 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.887 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.0 mm -73.07 -18.15 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.5 pp -66.94 -30.85 71.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.7 -15.58 62.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.768 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.75 77.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.2 170.9 8.9 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.574 ' NE2' HD21 ' A' ' 195' ' ' ASN . 0.0 OUTLIER -77.84 94.47 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.41 -154.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -89.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.366 1.719 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -11.25 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.6 112.12 3.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 19.4 t80 -70.81 -32.1 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -46.08 91.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.29 -33.44 75.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.448 ' HE1' HD12 ' A' ' 190' ' ' LEU . 4.1 t80 -66.95 -44.11 81.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.23 -42.5 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 170' ' ' LYS . 1.4 m-20 -58.91 -44.31 91.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -43.27 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.768 ' CA ' HG21 ' A' ' 153' ' ' ILE . 53.7 t80 -58.45 -47.36 84.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.802 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.26 -21.96 55.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.437 ' CE ' ' HB3' ' A' ' 166' ' ' ASP . 14.9 mtmt -72.64 -44.09 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.887 ' HB ' HD13 ' A' ' 150' ' ' ILE . 34.8 m -74.01 -39.28 63.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 0.0 110.445 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.802 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.51 -49.52 76.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 173' ' ' ARG . 2.9 ttp-105 -67.59 -16.0 63.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -83.77 -29.77 27.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.4 mt-10 164.68 60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.466 ' HB3' ' CA ' ' A' ' 172' ' ' LEU . 1.4 pp0? -56.61 86.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.3 151.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.458 ' CB ' ' HB ' ' A' ' 181' ' ' VAL . 0.2 OUTLIER -173.18 171.08 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -58.8 -18.9 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.39 46.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.723 HG13 ' CD1' ' A' ' 189' ' ' LEU . 13.7 t -129.49 -48.29 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.389 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -57.26 -43.12 82.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -63.9 -31.79 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -83.53 151.77 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.908 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -83.4 166.15 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.472 HG23 ' HE1' ' A' ' 168' ' ' PHE . 15.1 m -62.76 -80.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 188' ' ' THR . 0.9 OUTLIER -47.23 -28.89 2.08 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.908 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -71.07 -35.5 71.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.723 ' CD1' HG13 ' A' ' 181' ' ' VAL . 2.3 mt -75.39 -44.15 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -58.62 -42.72 88.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.983 HG22 HD13 ' A' ' 202' ' ' LEU . 38.7 t -75.35 -47.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.6 tp60 -60.7 -40.27 91.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 189' ' ' LEU . 6.8 t30 -88.15 14.9 8.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 109.406 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -111.34 159.94 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.574 HD21 ' NE2' ' A' ' 155' ' ' GLN . 0.2 OUTLIER -42.51 165.3 0.1 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.583 1.833 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.59 -51.92 33.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.458 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 10.6 t -56.37 -36.81 69.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 108.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -57.59 -44.98 85.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 63.6 m -64.16 -42.13 96.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.941 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -37.52 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.983 HD13 HG22 ' A' ' 191' ' ' VAL . 1.4 mt -72.22 -31.93 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -67.02 -38.27 85.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.228 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.53 -30.79 53.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.755 HD21 ' CG ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -57.52 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.83 155.68 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 56.8 4.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 151.69 50.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.745 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.23 157.26 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.799 . . . . 0.0 109.259 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.9 t -93.65 154.57 17.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.532 HD21 ' OH ' ' A' ' 169' ' ' TYR . 2.8 mp -44.81 -36.07 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.46 -50.05 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.755 ' CG ' HD21 ' A' ' 205' ' ' LEU . 4.6 tp10 -68.26 -36.07 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.627 ' HG2' HD21 ' A' ' 202' ' ' LEU . 4.4 mtt -65.21 -46.56 80.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.572 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 1.5 ttp -69.5 -32.69 71.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -38.81 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.941 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.35 -37.67 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.565 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -63.54 -43.26 97.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 108.348 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.16 -26.97 65.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.9 OUTLIER -46.73 149.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.12 -165.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 134.94 -177.54 19.23 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 109.94 3.02 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.524 1.802 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 167.66 167.16 27.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -106.56 138.47 42.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.623 0.837 . . . . 0.0 109.557 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -84.7 -62.73 1.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.231 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.62 157.88 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.71 135.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 70.5 t -119.11 116.71 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 148' ' ' THR . 1.1 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.649 ' O ' HG21 ' A' ' 171' ' ' THR . 1.0 OUTLIER -100.03 164.89 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.704 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.8 mm -80.17 -17.1 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.461 HD23 ' OG ' ' A' ' 149' ' ' SER . 1.5 pp -66.94 -30.68 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 153' ' ' ILE . 11.4 t70 -71.91 -14.47 61.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.838 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.23 98.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.38 171.59 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.751 ' OE1' ' HB1' ' A' ' 194' ' ' ALA . 0.1 OUTLIER -81.78 90.66 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -49.4 174.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.511 1.795 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -15.92 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 163' ' ' ASP . 24.7 tt0 -71.04 129.13 89.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.595 1.185 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.11 176.0 10.5 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.431 1.753 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.2 t80 -70.35 -34.8 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.03 90.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.417 ' HB2' ' CG ' ' A' ' 159' ' ' GLU . 4.0 m-20 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -62.55 -43.85 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.89 -42.5 96.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.626 1.204 . . . . 0.0 109.284 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -40.88 79.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.41 -44.89 81.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.838 ' CA ' HG21 ' A' ' 153' ' ' ILE . 49.1 t80 -58.13 -47.36 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.84 -21.23 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -72.43 -44.6 62.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.704 ' CG2' HD13 ' A' ' 150' ' ' ILE . 59.7 m -74.04 -39.12 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.91 -47.63 82.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.5 mtt85 -75.78 -7.44 54.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -79.07 -17.37 55.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.5 OUTLIER -173.17 45.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.225 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.7 OUTLIER -37.61 96.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.85 149.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.14 167.33 14.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.01 -14.81 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.27 73.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.88 -41.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.74 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.84 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -83.65 157.8 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.944 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -121.67 119.74 32.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 51.3 p -51.74 -42.41 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.698 ' OE1' ' HB1' ' A' ' 185' ' ' ALA . 1.4 pm0 -66.46 -29.14 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.944 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -71.22 -38.19 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -46.71 51.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.86 -44.58 94.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.481 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 34.7 t -68.14 -46.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.1 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 13.6 t-20 -94.93 20.39 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -108.84 159.4 16.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.4 OUTLIER -43.18 165.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.04 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.48 -47.4 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 15.1 t -59.1 -35.59 73.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.342 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 199' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 3.0 tttm -56.9 -47.33 80.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 53.7 m -62.22 -43.4 98.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.458 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.912 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.28 -37.71 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 191' ' ' VAL . 0.1 OUTLIER -66.69 -35.32 79.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -64.04 -40.32 96.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.88 -26.25 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -61.92 -92.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.68 154.73 13.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.098 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.39 5.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.23 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.578 1.174 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.73 162.54 24.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 3.6 t -94.95 165.27 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.81 -52.15 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -46.14 -39.54 9.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -73.21 -38.91 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.442 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 40.8 mtt -63.86 -44.62 92.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.536 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 34.8 ttp -70.39 -35.66 73.61 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.414 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.912 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.4 -42.65 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.486 ' O ' HG12 ' A' ' 221' ' ' VAL . 11.6 t -57.98 -44.06 86.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.8 -25.33 67.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.91 -28.91 58.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.422 1.077 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.5 OUTLIER -48.0 135.77 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.51 166.71 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 50.32 -147.51 7.67 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.48 42.64 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 154.41 173.56 23.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.26 144.78 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.617 0.834 . . . . 0.0 109.673 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -107.19 166.86 10.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.68 174.99 0.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 179.64 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.63 80.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.387 1.054 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 109.229 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 171' ' ' THR . 13.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.664 ' C ' HG21 ' A' ' 171' ' ' THR . 3.4 t -93.21 171.04 9.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.957 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.814 HD13 ' CG2' ' A' ' 171' ' ' THR . 8.5 mm -78.62 -18.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.15 -33.11 75.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.232 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.424 ' C ' HD12 ' A' ' 153' ' ' ILE . 1.7 t0 -68.26 -15.65 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.835 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.84 97.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 8.2 ttm180 -124.05 161.04 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 4.7 tt0 -96.56 95.02 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.75 165.78 32.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -21.15 53.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 47.9 tt0 -77.98 134.96 63.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.1 Cg_endo -74.98 149.14 36.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.4 t80 -58.65 -28.18 65.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.81 -34.14 77.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.8 t80 -66.87 -41.01 87.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.44 -42.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.61 -44.68 85.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -44.14 92.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.835 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.4 t80 -58.13 -47.27 83.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.776 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.58 -20.6 58.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.88 -45.16 62.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.814 ' CG2' HD13 ' A' ' 150' ' ' ILE . 25.5 m -74.88 -37.79 62.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -45.41 84.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -84.38 9.91 12.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 110.175 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -97.72 -22.04 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.4 tt0 -170.03 45.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 177' ' ' ALA . 0.0 OUTLIER -37.7 96.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 110.315 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.93 150.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 t -168.66 171.83 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -15.58 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 178.95 73.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.15 -40.2 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -57.52 12.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.416 1.073 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -32.02 71.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -82.66 159.65 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.862 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -124.4 138.54 54.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.157 . . . . 0.0 109.393 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -59.4 -68.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.6 tp10 -45.31 -30.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.862 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -70.54 -40.46 73.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.434 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 186' ' ' THR . 2.7 mp -71.77 -47.11 55.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -43.82 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.942 HG13 HD22 ' A' ' 202' ' ' LEU . 54.9 t -68.6 -46.51 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -62.89 -38.06 89.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 154' ' ' ARG . 0.1 OUTLIER -87.94 13.05 11.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -87.45 170.24 11.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.464 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.3 m-20 -62.9 175.87 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.98 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.498 1.788 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.85 -46.58 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.9 t -54.0 -36.48 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' LYS . . . . . 0.513 ' HA ' HD21 ' A' ' 202' ' ' LEU . 9.4 tttm -60.95 -41.69 96.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.2 m -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 110.444 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 1.04 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.23 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.942 HD22 HG13 ' A' ' 191' ' ' VAL . 4.5 pp -69.9 -25.11 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -71.74 -44.89 63.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -20.17 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.838 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.1 OUTLIER -82.8 -68.12 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.838 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 174.81 132.28 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 138.59 44.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.826 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.03 170.62 16.21 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.546 0.792 . . . . 0.0 109.209 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.9 162.17 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 211' ' ' LEU . 2.1 tm? -56.21 -54.89 39.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 3.3 mt-10 -57.22 -27.7 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.835 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.1 OUTLIER -71.64 -44.72 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -46.93 80.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.598 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 5.0 ppp? -69.58 -29.1 66.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 216' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 212' ' ' GLU . 1.2 m -67.86 -41.48 82.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.04 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -70.82 -42.06 70.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.652 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.2 t -59.79 -45.82 91.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 108.244 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -26.97 68.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.63 -23.29 67.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.552 1.158 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 218' ' ' CYS . 4.2 p -41.06 150.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.27 -165.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.601 1.188 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -81.06 166.15 48.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.7 32.84 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -100.84 -58.11 0.85 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.64 167.93 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 228' ' ' ALA . 11.1 pttt -130.77 116.0 17.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.26 142.8 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 134.31 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 9.1 p -97.25 161.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.484 1.115 . . . . 0.0 109.403 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.539 0.209 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.782 ' O ' HG21 ' A' ' 171' ' ' THR . 1.8 t -110.38 109.82 20.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.726 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.7 mm -87.91 -18.34 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.415 ' C ' HD22 ' A' ' 193' ' ' ASN . 0.5 OUTLIER -64.44 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -70.52 -20.1 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.839 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -80.15 82.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' A' ' 164' ' ' TYR . 5.1 ptt180 -127.9 169.8 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.599 1.187 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 155' ' ' GLN . 2.1 pm0 -82.31 117.76 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -85.16 -159.22 30.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.78 -12.46 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.92 115.39 20.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.89 9.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.5 t80 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -62.27 -44.2 97.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.92 -33.49 75.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 154' ' ' ARG . 3.3 t80 -67.31 -43.36 81.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.61 -45.39 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.386 1.054 . . . . 0.0 109.231 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.37 -45.87 90.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.364 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -66.27 -41.95 89.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.839 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.0 t80 -59.78 -47.37 85.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.776 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.09 -21.77 58.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -72.7 -44.51 61.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.782 HG21 ' O ' ' A' ' 149' ' ' SER . 58.7 m -73.99 -37.43 64.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.93 -49.54 76.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.507 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -64.59 -11.43 34.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -73.73 -20.88 60.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.8 OUTLIER 174.09 59.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 1.6 tm0? -37.34 120.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.25 156.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 181' ' ' VAL . 0.1 OUTLIER -172.03 151.52 2.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 110.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.83 -12.72 61.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.565 ' HB3' ' HB2' ' A' ' 185' ' ' ALA . 0.0 OUTLIER -130.04 48.41 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 178' ' ' SER . 95.9 t -69.92 -36.03 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -52.63 -42.39 64.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ASN . . . . . 0.53 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 0.7 OUTLIER -99.7 -11.75 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 183' ' ' ASN . . . 72.87 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 180' ' ' GLU . . . -105.31 19.87 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.602 HG23 ' HE1' ' A' ' 168' ' ' PHE . 3.3 m -62.58 -81.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.792 ' O ' HG23 ' A' ' 191' ' ' VAL . 0.7 OUTLIER -45.02 -34.23 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -37.56 85.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' THR . 3.3 mt -71.31 -46.59 60.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.724 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -54.27 -42.82 70.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.201 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 187' ' ' GLU . 46.8 t -72.37 -47.79 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.56 -52.95 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 14.6 t30 -70.11 -5.22 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.19 153.3 17.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 3.9 p-10 -40.27 160.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -49.13 -46.11 44.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 49.7 t -54.53 -37.33 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -45.75 87.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.9 m -62.8 -40.72 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.424 1.078 . . . . 0.0 110.454 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.806 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -64.18 -43.25 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.35 -22.8 61.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -71.6 -47.29 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.59 -22.96 53.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 1.088 HD13 ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -82.33 -56.5 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.362 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.651 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 168.37 127.13 0.89 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.48 44.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.644 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.25 167.2 20.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -59.04 167.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 210' ' ' THR . 6.2 tt -56.23 -56.74 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -32.1 53.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.553 ' CG ' ' HB1' ' A' ' 209' ' ' ALA . 1.7 tt0 -67.52 -46.68 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.09 97.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.8 ttm -70.24 -31.98 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -39.99 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.088 ' HB2' HD13 ' A' ' 205' ' ' LEU . . . -71.45 -42.81 67.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.439 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.0 t -58.94 -45.89 89.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.68 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.09 -22.85 64.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 201' ' ' ILE . 1.0 OUTLIER -47.11 153.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.358 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -165.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -143.09 159.63 27.46 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 165.86 30.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -58.65 154.18 27.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -85.49 -63.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 109.581 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -73.98 160.45 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.61 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.238 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 155.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 9.6 p -89.63 151.6 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.548 0.213 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.74 ' O ' HG21 ' A' ' 171' ' ' THR . 1.7 t -124.18 106.59 10.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.063 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.764 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.5 mm -83.82 -18.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.18 -22.83 63.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.67 HG22 ' CE1' ' A' ' 164' ' ' TYR . 1.2 mp -76.3 119.5 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.43 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 10.0 ptt180 -152.59 164.24 38.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.227 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.445 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? -118.24 112.51 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.354 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -70.38 -174.73 16.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.32 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 79.2 tt0 -69.03 136.48 89.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.6 Cg_endo -74.86 148.5 36.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 76.1 t80 -70.49 -22.65 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -45.66 82.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.177 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -64.0 -39.43 94.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.223 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.67 ' CE1' HG22 ' A' ' 153' ' ' ILE . 12.5 t80 -63.03 -44.75 95.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 169' ' ' TYR . 5.1 t -61.7 -43.18 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -42.77 85.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -66.67 -44.82 80.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.61 ' CA ' HG21 ' A' ' 153' ' ' ILE . 62.3 t80 -58.25 -47.12 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.658 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.0 m-85 -74.35 -22.71 59.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.93 -44.57 61.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.224 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.764 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.8 m -74.03 -35.14 64.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.462 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.65 -39.81 74.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -61.4 -32.05 71.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.77 14.37 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 176' ' ' GLN . 1.7 tm-20 -147.59 42.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 177' ' ' ALA . 5.2 tt0 -37.11 155.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.235 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 176' ' ' GLN . . . -39.54 154.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.1 172.14 13.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.52 -38.0 82.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.75 -45.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -35.34 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -60.5 -31.96 70.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.91 99.82 12.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.865 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -47.37 109.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 m -39.33 -58.7 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.409 ' CD ' ' C ' ' A' ' 187' ' ' GLU . 3.4 tm-20 -51.03 -39.49 56.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.865 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.49 -28.49 68.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -72.23 -47.0 53.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.602 1.189 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.752 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -58.7 -44.94 90.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.62 -46.68 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.09 89.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.3 OUTLIER -92.42 17.66 9.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -113.02 160.54 18.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 4.0 p-10 -41.81 162.43 0.14 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -75.1 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.27 -44.75 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.463 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 43.2 t -59.28 -35.75 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -56.73 -47.07 80.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 51.6 m -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.942 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.27 -34.63 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 202' ' ' LEU . 0.1 OUTLIER -69.88 -34.6 73.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -67.53 -38.25 83.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.143 . . . . 0.0 109.404 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.59 -23.03 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.46 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.3 153.42 10.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 57.89 4.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 152.46 49.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -79.9 155.33 27.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 213' ' ' GLU . 9.5 t -94.27 149.01 21.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.879 HD13 ' N ' ' A' ' 212' ' ' GLU . 0.0 OUTLIER -41.43 -31.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.879 ' N ' HD13 ' A' ' 211' ' ' LEU . 4.4 tt0 -67.92 -51.14 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.539 ' CG ' HD21 ' A' ' 205' ' ' LEU . 1.5 tp10 -66.39 -39.82 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 25.7 mtm -63.33 -42.99 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.7 ttp -68.92 -35.4 76.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -37.96 85.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.942 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.15 -37.52 69.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.619 ' O ' HG12 ' A' ' 221' ' ' VAL . 10.1 t -63.57 -46.2 86.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.227 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.71 -29.98 53.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.593 1.183 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER -49.66 144.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -66.86 -165.78 2.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 130.74 -84.15 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 161.75 38.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -93.21 -123.48 3.49 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.526 1.142 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -144.18 105.91 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.409 0.711 . . . . 0.0 109.663 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -141.96 147.73 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.57 147.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.519 ' O ' HG12 ' A' ' 230' ' ' VAL . 1.6 ttt180 179.62 144.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.746 HG22 ' H ' ' A' ' 231' ' ' LEU . 2.2 p 44.34 -168.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 231' ' ' LEU . . . . . 0.746 ' H ' HG22 ' A' ' 230' ' ' VAL . 2.1 pp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.18 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 148' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.556 0.217 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.755 ' C ' HG21 ' A' ' 171' ' ' THR . 6.2 t -102.87 174.11 6.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.931 ' HA ' HD13 ' A' ' 153' ' ' ILE . 5.7 mm -76.98 -15.75 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.5 -30.36 70.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.72 -7.95 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.931 HD13 ' HA ' ' A' ' 150' ' ' ILE . 2.6 mp -94.56 96.98 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.464 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -126.68 162.57 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.447 ' NE2' ' SG ' ' A' ' 218' ' ' CYS . 19.3 tt0 -94.88 98.89 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -73.46 162.57 54.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.583 1.177 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -74.19 -23.55 59.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 109.276 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.68 138.02 47.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 157.6 42.35 Favored 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.415 1.744 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 55.0 t80 -66.39 -30.87 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -45.47 92.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.93 -35.16 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.464 ' CE1' ' C ' ' A' ' 154' ' ' ARG . 12.6 t80 -66.23 -43.08 87.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.32 -42.94 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.072 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -57.51 -43.73 84.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -42.8 98.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.831 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.0 t80 -59.34 -47.47 85.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.732 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.21 -19.01 58.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.28 -46.24 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.765 ' CG2' HD13 ' A' ' 150' ' ' ILE . 12.9 m -75.89 -39.12 57.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.65 -44.94 81.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.3 10.54 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.08 -15.79 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER -168.23 43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.547 ' HG2' HD12 ' A' ' 172' ' ' LEU . 0.3 OUTLIER -38.39 96.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.72 150.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.748 ' HB2' HG22 ' A' ' 181' ' ' VAL . 0.3 OUTLIER -167.75 170.41 10.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -61.52 -13.61 22.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 177.25 75.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.247 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 178' ' ' SER . 59.5 t -59.85 -38.53 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.8 11.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.31 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 181' ' ' VAL . . . -84.79 160.58 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.822 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -132.52 136.79 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.545 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -59.25 -69.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.545 ' N ' HG22 ' A' ' 186' ' ' THR . 0.8 OUTLIER -45.07 -33.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.822 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -69.97 -40.01 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' ASN . 1.8 mp -69.75 -46.78 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.4 tp -57.09 -44.35 83.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.388 1.055 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.673 HG22 ' HE3' ' A' ' 214' ' ' MET . 39.8 t -66.76 -46.82 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -37.85 88.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 47.4 t-20 -92.25 17.11 10.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.39 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -101.59 178.36 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.481 ' ND2' ' HD2' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -61.25 169.66 2.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.481 ' HD2' ' ND2' ' A' ' 195' ' ' ASN . 18.6 Cg_endo -74.97 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.04 -45.37 61.28 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.404 ' SG ' HD23 ' A' ' 202' ' ' LEU . 41.9 t -54.56 -36.06 63.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -47.13 82.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 66.5 m -62.39 -42.41 99.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.944 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.06 -34.61 69.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.614 HD11 ' HG2' ' A' ' 214' ' ' MET . 0.5 OUTLIER -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -66.6 -38.79 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.82 -24.5 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.05 -84.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.52 147.63 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 44.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.492 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.4 164.54 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 213' ' ' GLU . 14.6 t -88.46 147.93 24.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.491 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -34.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.389 1.056 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.02 -46.4 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.726 ' HG3' HD21 ' A' ' 205' ' ' LEU . 2.4 tp10 -67.16 -39.03 86.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.673 ' HE3' HG22 ' A' ' 191' ' ' VAL . 3.2 mtp -64.03 -41.23 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.589 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.8 ttt -71.58 -34.26 69.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -38.64 86.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.944 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.32 -41.83 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.476 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -59.31 -45.29 91.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.06 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.053 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.94 -29.71 53.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -42.03 121.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.346 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.17 166.14 2.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -137.51 149.07 20.18 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 103.67 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -111.09 -109.56 3.14 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.579 1.174 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 145.48 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.624 0.838 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -99.45 172.52 7.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.65 152.18 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.48 136.84 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.8 p -91.41 146.85 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 171' ' ' THR . 1.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.716 ' O ' HG21 ' A' ' 171' ' ' THR . 6.3 t -86.94 174.12 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.723 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -79.85 -17.41 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.54 -25.27 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.447 ' C ' HD12 ' A' ' 153' ' ' ILE . 16.0 t70 -78.38 -10.4 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.72 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.1 mp -86.27 90.53 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 166.22 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.571 ' HB2' ' CD1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -153.2 132.08 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.179 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -93.48 -165.94 37.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -72.63 -25.75 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.466 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 29.9 tt0 -61.33 140.1 94.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 159' ' ' GLU . 18.3 Cg_endo -74.94 134.33 17.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.56 1.821 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 9.7 t80 -71.32 -29.13 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -47.97 82.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -67.46 -32.83 73.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 155' ' ' GLN . 32.6 t80 -66.48 -46.49 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 211' ' ' LEU . 3.2 t -62.79 -43.11 98.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.58 -40.63 83.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -68.03 -46.6 70.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.72 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.0 t80 -57.92 -47.08 83.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.645 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.63 -21.83 57.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -44.24 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.723 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.9 m -74.18 -38.93 63.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.79 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.94 -43.47 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -0.14 32.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -92.85 -16.1 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 177' ' ' ALA . 1.7 tt0 172.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.381 1.051 . . . . 0.0 110.323 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 176' ' ' GLN . 7.4 pt20 -36.99 97.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -176.29 151.6 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.591 ' HB2' HG22 ' A' ' 181' ' ' VAL . 0.2 OUTLIER -161.56 171.23 18.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -15.79 17.16 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.56 1.162 . . . . 0.0 110.326 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 175.85 75.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.591 HG22 ' HB2' ' A' ' 178' ' ' SER . 59.5 t -62.3 -39.75 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -62.82 -49.22 75.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -67.19 -31.13 71.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -117.59 87.99 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.769 ' HB1' ' OE1' ' A' ' 187' ' ' GLU . . . -48.85 142.36 6.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.55 HG23 ' H ' ' A' ' 187' ' ' GLU . 1.2 t -43.92 -58.4 2.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.417 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.769 ' OE1' ' HB1' ' A' ' 185' ' ' ALA . 2.7 pm0 -55.24 -30.22 59.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -70.11 -37.19 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.4 mt -69.9 -46.29 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.74 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.14 -43.47 82.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.392 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 48.0 t -68.5 -48.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -38.42 88.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -91.37 17.79 8.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -111.59 160.83 16.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.546 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 2.0 p-10 -42.11 163.44 0.13 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -49.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -49.62 -48.29 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.46 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 20.6 t -56.12 -35.64 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 199' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -56.69 -46.77 81.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 33.7 m -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.917 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.58 -34.96 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.492 HD11 ' HG2' ' A' ' 214' ' ' MET . 0.1 OUTLIER -69.86 -34.23 73.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -66.61 -39.95 88.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.8 -26.64 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -64.96 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.82 149.94 8.82 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.73 4.64 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.14 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 213' ' ' GLU . . . -80.04 161.81 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 0.823 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 14.2 t -92.03 160.56 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.745 ' C ' HD13 ' A' ' 211' ' ' LEU . 0.4 OUTLIER -47.55 -39.98 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.425 ' N ' HD13 ' A' ' 211' ' ' LEU . 0.1 OUTLIER -62.59 -37.46 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.739 ' HB3' ' HB1' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -68.53 -46.79 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.63 1.206 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.492 ' HG2' HD11 ' A' ' 202' ' ' LEU . 22.0 mtt -63.82 -41.9 97.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.6 OUTLIER -67.76 -34.96 77.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.943 ' HB2' HD11 ' A' ' 205' ' ' LEU . . . -71.44 -36.95 71.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.561 ' O ' HG12 ' A' ' 221' ' ' VAL . 33.0 t -61.47 -46.22 90.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -28.96 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.41 -27.51 67.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -48.3 137.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 71.88 165.87 7.8 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -37.69 98.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.0 170.53 20.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -145.24 47.11 0.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -165.11 100.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.51 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -56.22 98.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.21 -60.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.7 153.98 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 91.3 t -83.74 117.24 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.598 0.237 . . . . 0.0 110.453 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.731 ' C ' HG21 ' A' ' 171' ' ' THR . 3.1 t -121.04 107.64 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.758 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.7 mm -81.89 -17.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.202 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.37 -31.83 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.73 -20.15 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -78.01 70.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 159.51 17.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.432 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.8 pt20 -91.89 96.9 10.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.55 -149.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -81.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -74.24 -15.94 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.87 111.42 1.89 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 163.33 35.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.3 t80 -69.62 -27.95 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.42 -32.56 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 4.0 t80 -67.8 -39.07 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.53 -46.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.77 -42.2 88.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -66.43 -42.52 87.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.638 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.0 t80 -59.96 -47.19 86.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.715 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -74.28 -22.25 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -73.31 -44.53 58.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.372 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.758 ' HB ' HD13 ' A' ' 150' ' ' ILE . 52.7 m -74.0 -34.61 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.776 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.37 -40.07 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.45 63.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.15 16.34 25.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.0 OUTLIER -149.89 43.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 177' ' ' ALA . 63.0 tp60 -37.37 155.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 176' ' ' GLN . . . -38.63 155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.39 173.08 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.66 -18.76 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -129.12 25.14 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.34 -44.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.405 ' HG3' ' HB1' ' A' ' 177' ' ' ALA . 0.3 OUTLIER -54.26 -23.83 16.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.369 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -76.79 -31.98 57.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.2 106.7 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.383 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.723 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -59.72 115.51 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.9 p -43.15 -56.25 3.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.48 -37.36 48.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.723 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.7 OUTLIER -67.36 -32.85 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.19 -46.06 36.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.571 ' CD2' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -55.28 -44.49 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.671 HG13 HD13 ' A' ' 202' ' ' LEU . 69.1 t -75.92 -46.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 192' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.8 tp60 -57.77 -43.09 85.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 36.8 t30 -78.14 0.97 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -93.48 157.48 16.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.388 1.055 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -47.04 172.27 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.388 1.73 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.425 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.15 -52.99 30.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 33.9 t -53.36 -38.1 62.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.01 -43.41 86.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 93.1 m -64.74 -40.29 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.654 HG22 ' HB1' ' A' ' 217' ' ' ALA . 1.0 OUTLIER -63.59 -43.76 98.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.671 HD13 HG13 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -69.22 -26.78 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -39.81 66.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.4 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 1.036 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -81.77 -53.67 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.502 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 149.11 132.12 2.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.64 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 168.92 39.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.408 1.068 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 1.036 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -81.17 159.9 24.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 0.735 . . . . 0.0 109.284 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 214' ' ' MET . 8.9 t -89.91 -171.14 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.417 ' N ' ' OG1' ' A' ' 210' ' ' THR . 0.1 OUTLIER -64.89 -48.51 73.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.21 -44.34 95.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.6 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -68.91 -46.01 69.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.571 ' CE ' ' CD2' ' A' ' 190' ' ' LEU . 39.2 mtp -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.0 ttt -70.85 -33.28 70.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -39.9 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.654 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.41 -41.41 69.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.497 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.8 t -62.33 -40.07 95.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.263 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -26.51 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.92 -27.85 61.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -44.73 124.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.96 165.94 3.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -159.15 -83.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 112.67 3.62 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 175.99 84.97 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -69.19 95.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 1.3 mptm? -70.66 167.25 19.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.201 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.64 151.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 229' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 230' ' ' VAL . 0.1 OUTLIER 179.76 114.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.271 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 230' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 229' ' ' ARG . 8.4 p 38.01 41.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 109.231 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.45 ' O ' HD13 ' A' ' 153' ' ' ILE . 33.3 t -100.24 175.39 5.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.787 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.7 mm -71.62 -18.24 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.54 -29.22 68.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 153' ' ' ILE . 12.0 t70 -72.48 -14.43 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.854 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.52 106.35 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.479 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -144.37 153.46 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 2.1 pt20 -83.26 94.8 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -53.78 -174.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -66.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -75.43 -17.6 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -72.42 127.18 90.47 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 170.33 20.64 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 77.1 t80 -70.32 -31.96 69.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -60.77 -45.9 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.09 -35.09 79.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 6.9 t80 -66.07 -40.25 90.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 211' ' ' LEU . 18.3 t -69.73 -40.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.02 94.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.854 ' CA ' HG21 ' A' ' 153' ' ' ILE . 52.5 t80 -58.62 -46.74 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.963 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.44 -21.38 58.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -72.74 -43.93 62.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.787 ' HB ' HD13 ' A' ' 150' ' ' ILE . 86.5 m -73.74 -40.39 63.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.963 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.7 -44.68 86.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -71.41 -5.99 36.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -95.67 -24.53 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 174' ' ' ALA . 0.8 OUTLIER 160.72 54.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.0 OUTLIER -37.88 154.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.343 1.027 . . . . 0.0 110.272 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.18 98.33 2.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 181' ' ' VAL . 0.5 OUTLIER -122.6 128.98 51.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.39 -12.6 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 184' ' ' ALA . 1.0 OUTLIER -134.13 51.78 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 178' ' ' SER . 40.9 t -56.66 -34.26 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -42.03 64.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 183' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 0.3 OUTLIER -99.51 -11.03 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 183' ' ' ASN . . . 70.79 97.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -94.26 26.77 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.708 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -62.36 -79.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.797 ' O ' HG23 ' A' ' 191' ' ' VAL . 0.2 OUTLIER -47.84 -30.24 3.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.411 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.03 -34.44 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 186' ' ' THR . 1.0 OUTLIER -73.34 -46.27 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.634 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.5 OUTLIER -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 187' ' ' GLU . 85.1 t -68.56 -45.6 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -38.17 89.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 0.5 OUTLIER -88.27 9.84 21.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.92 158.1 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.649 1.218 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -50.52 176.62 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -75.05 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.4 OUTLIER -51.1 -54.9 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 202' ' ' LEU . 21.8 t -54.93 -39.86 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -47.06 85.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.4 m -61.5 -41.21 96.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.85 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.96 -44.65 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.569 HD13 HG13 ' A' ' 191' ' ' VAL . 0.4 OUTLIER -68.53 -23.06 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.46 -52.21 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.14 -18.01 61.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 1.03 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -80.66 -68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.357 179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.615 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 160.94 133.1 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.19 4.15 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.12 38.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 1.03 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -81.02 159.8 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 213' ' ' GLU . 10.1 t -90.17 155.94 18.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.664 HD11 HG11 ' A' ' 165' ' ' VAL . 8.3 tt -41.3 -34.08 0.46 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -46.9 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.233 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.84 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.5 OUTLIER -70.11 -37.01 75.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.458 ' HG2' ' HB3' ' A' ' 209' ' ' ALA . 4.9 mtm -64.36 -47.16 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ptt? -70.01 -29.85 67.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 216' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 215' ' ' MET . 0.9 OUTLIER -67.12 -40.08 86.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.354 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.85 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.79 -42.76 66.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.529 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.9 t -59.88 -38.75 83.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -25.68 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.85 -25.46 64.63 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.0 OUTLIER -47.98 149.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -165.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 88.94 -119.86 5.55 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.99 17.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 77.89 143.61 2.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.09 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -158.58 147.19 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.598 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -175.39 -65.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.65 173.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.64 130.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.36 154.44 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.832 ' C ' HG21 ' A' ' 171' ' ' THR . 7.8 t -109.74 79.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.55 -13.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -19.24 65.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.594 ' HA ' HH21 ' A' ' 154' ' ' ARG . 4.8 t0 -89.74 -15.09 33.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.687 HG21 ' CA ' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -68.63 116.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.225 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.594 HH21 ' HA ' ' A' ' 152' ' ' ASP . 19.1 ptp180 -148.29 163.03 38.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.9 pt20 -92.99 95.21 9.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -55.31 -178.01 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -78.94 -15.64 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -77.54 129.26 77.65 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.94 38.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.6 t80 -65.96 -28.75 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -45.36 87.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.83 -37.71 86.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 154' ' ' ARG . 4.9 t80 -65.56 -42.69 91.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.93 -42.85 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -57.56 -42.15 82.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -44.45 90.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 150' ' ' ILE . 50.8 t80 -58.55 -47.04 85.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.648 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.25 -20.94 58.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.53 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.832 HG21 ' C ' ' A' ' 149' ' ' SER . 33.8 m -73.56 -40.05 64.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.5 -45.08 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.256 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -10.21 59.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -74.34 -21.01 59.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.6 OUTLIER -164.88 39.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 176' ' ' GLN . 5.1 pt20 -38.26 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -178.81 156.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.5 t -171.33 160.26 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.78 -13.04 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.04 70.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.622 ' HA ' ' HB3' ' A' ' 184' ' ' ALA . 59.0 t -60.02 -38.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -54.62 -47.92 72.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.89 -17.82 52.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' A' ' 181' ' ' VAL . . . -72.98 140.32 47.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.5 ' HB1' ' HB ' ' A' ' 188' ' ' THR . . . -119.01 97.88 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.1 p -57.33 -53.92 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 191' ' ' VAL . 2.3 tp10 -52.65 -44.22 66.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.5 ' HB ' ' HB1' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.0 mt -67.26 -46.63 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -58.4 -43.68 88.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 187' ' ' GLU . 62.0 t -65.73 -47.57 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.56 -39.1 93.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 0.3 OUTLIER -88.19 10.84 18.09 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -102.53 166.71 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.19 166.68 0.64 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -44.81 62.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.494 ' SG ' HD13 ' A' ' 202' ' ' LEU . 19.5 t -54.24 -36.94 64.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.62 -46.98 85.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 88.2 m -62.14 -41.13 97.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.966 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.66 -40.88 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.503 ' CD2' HG22 ' A' ' 191' ' ' VAL . 6.3 mp -72.18 -22.31 61.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -44.37 46.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.19 45.53 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -74.57 -73.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.838 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -176.19 137.34 3.62 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 56.89 4.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 129.41 48.62 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.855 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.07 168.53 19.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.81 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 211' ' ' LEU . 1.2 tm? -58.7 -59.29 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.4 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 1.8 mp0 -49.17 -31.67 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.744 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.6 OUTLIER -72.78 -45.62 57.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.414 ' SD ' HD21 ' A' ' 202' ' ' LEU . 0.0 OUTLIER -63.28 -45.78 89.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.603 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -30.85 67.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 216' ' ' THR . . . . . 0.445 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -66.05 -40.4 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.966 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.07 -44.0 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.536 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.6 t -59.35 -39.04 81.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.94 -26.23 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.01 -22.63 68.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 218' ' ' CYS . 2.2 p -44.09 155.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.77 -165.96 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 223' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' A' ' 224' ' ' PRO . . . 39.3 63.37 1.14 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 224' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 223' ' ' GLY . 18.5 Cg_endo -75.03 68.88 5.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 37.81 -109.28 0.09 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.425 1.078 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.1 67.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.562 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 26.5 mttp -70.27 177.33 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.63 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.33 143.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.61 133.91 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.699 ' C ' HG21 ' A' ' 171' ' ' THR . 9.2 t -107.55 65.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.843 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -66.41 -14.24 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -21.19 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.35 -18.95 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.7 OUTLIER -67.5 108.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.6 168.64 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 60.0 mt-30 -82.49 94.1 7.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.232 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.5 173.17 7.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -66.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -10.68 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -85.2 127.85 62.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.1 17.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 71.0 t80 -70.33 -32.89 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.79 -45.31 94.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.6 -35.76 80.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 9.8 t80 -65.36 -42.4 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.3 -44.25 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.361 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.61 -41.89 82.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CG ' HG13 ' A' ' 153' ' ' ILE . 1.5 tpp180 -64.68 -42.91 95.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.843 ' CE2' HD11 ' A' ' 150' ' ' ILE . 49.1 t80 -58.39 -47.43 83.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.578 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -44.12 63.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.699 HG21 ' C ' ' A' ' 149' ' ' SER . 10.1 m -74.0 -37.82 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.03 -43.71 97.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -75.85 -2.04 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -84.84 -17.48 37.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' ALA . 6.8 tt0 179.08 51.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.8 OUTLIER -38.45 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -176.76 163.2 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.456 ' N ' HG23 ' A' ' 181' ' ' VAL . 0.3 OUTLIER 179.3 172.18 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.88 -15.14 19.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.45 72.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 178' ' ' SER . 25.6 t -66.62 -43.03 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -55.48 -46.74 76.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -72.9 -31.6 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' VAL . . . -80.52 158.33 25.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.963 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -130.74 143.32 50.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.773 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER -66.01 -43.03 88.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.384 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.831 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.2 tm-20 -68.76 -36.51 78.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.963 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -69.53 -41.46 75.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -69.31 -46.53 66.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.398 1.061 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 2.2 tp -57.1 -44.08 82.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 1.025 HG22 HD23 ' A' ' 202' ' ' LEU . 81.7 t -66.85 -47.14 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.63 -38.23 90.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 17.9 t-20 -89.08 14.14 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -106.3 159.74 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -45.21 168.84 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.97 -45.68 64.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.7 t -54.69 -36.62 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.2 -45.13 88.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.9 m -63.82 -41.46 97.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 1.075 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.67 -43.48 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.18 -179.891 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.025 HD23 HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -70.33 -26.48 63.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -42.15 76.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -81.65 -20.37 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.994 HD13 ' HB2' ' A' ' 217' ' ' ALA . 5.6 tp -59.12 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.86 145.32 4.96 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.395 1.06 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.27 4.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.56 ' HB3' HD23 ' A' ' 205' ' ' LEU . . . -79.97 161.87 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 4.7 t -79.3 -177.49 5.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.064 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 211' ' ' LEU . 0.9 OUTLIER -68.34 -51.88 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.21 -35.07 48.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.578 ' HG3' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -70.41 -45.51 65.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 15.5 mtm -62.29 -42.06 99.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.6 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.3 OUTLIER -70.37 -34.1 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -39.12 89.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.352 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.075 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.17 -40.53 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.44 -45.81 91.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -25.08 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.83 -23.14 64.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.168 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -44.32 138.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.49 0.759 . . . . 0.0 109.382 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -62.62 -166.4 0.6 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -140.88 -146.06 4.7 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -94.61 -62.23 1.04 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.64 118.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 0.817 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -109.37 173.87 6.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.077 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.74 111.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.391 1.057 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -43.71 125.43 4.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.43 153.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 171' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.557 0.218 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.858 ' C ' HG21 ' A' ' 171' ' ' THR . 5.1 t -92.94 161.29 14.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.875 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.45 -13.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.555 HD23 ' OG ' ' A' ' 149' ' ' SER . 2.1 pp -68.12 -19.2 64.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -89.15 -15.47 33.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.613 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.6 OUTLIER -67.94 92.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 1.5 ttt85 -111.48 155.42 23.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.383 1.052 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.552 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 -100.66 101.03 11.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -74.53 165.96 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.91 59.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.88 135.34 45.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.09 39.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.6 t80 -66.69 -32.04 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -45.78 90.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.64 -35.41 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 34.6 t80 -66.86 -40.16 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.8 t -70.92 -41.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -57.98 -43.55 86.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -45.85 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.875 ' CE2' HD11 ' A' ' 150' ' ' ILE . 53.1 t80 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.67 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.41 -21.49 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -68.62 -45.21 72.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.858 HG21 ' C ' ' A' ' 149' ' ' SER . 34.4 m -75.09 -41.3 59.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.06 -50.12 74.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.413 ' N ' HD12 ' A' ' 172' ' ' LEU . 2.8 mtt-85 -65.32 -16.36 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -85.05 -31.54 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 174' ' ' ALA . 0.4 OUTLIER 162.79 53.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.452 ' CA ' ' HA ' ' A' ' 172' ' ' LEU . 0.6 OUTLIER -39.14 106.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.74 38.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.82 ' O ' HG23 ' A' ' 181' ' ' VAL . 0.3 OUTLIER -163.04 149.35 12.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.44 -13.14 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.36 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 178' ' ' SER . 61.9 t -64.1 -43.8 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -74.96 -36.69 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.1 -1.98 35.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.601 ' HA ' HG21 ' A' ' 188' ' ' THR . . . -160.51 97.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.31 166.32 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 89.6 m -52.16 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.475 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 2.8 tt0 -50.16 -32.16 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 0.0 110.231 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.601 HG21 ' HA ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -70.06 -30.99 68.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.9 mt -72.34 -46.49 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -59.59 -44.46 93.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.839 HG13 HD13 ' A' ' 202' ' ' LEU . 42.3 t -67.86 -46.51 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.29 -38.18 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.229 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 189' ' ' LEU . 20.1 t-20 -86.22 7.46 25.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.181 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.53 155.62 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -48.36 175.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -75.07 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -51.19 57.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.77 -37.32 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -58.18 -47.33 83.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.7 m -62.53 -40.14 95.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 1.112 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -68.51 -32.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.839 HD13 HG13 ' A' ' 191' ' ' VAL . 1.7 mt -72.09 -31.91 66.52 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.464 1.103 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -72.75 -44.22 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.67 -19.19 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.966 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -73.52 -76.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.767 ' H ' HD23 ' A' ' 205' ' ' LEU . . . -178.64 138.0 3.46 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.02 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.2 43.73 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.966 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.61 166.9 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -75.65 175.13 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 210' ' ' THR . 2.7 tm? -59.21 -58.3 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.6 ' HG3' HG23 ' A' ' 210' ' ' THR . 0.0 OUTLIER -46.72 -31.21 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.581 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.9 OUTLIER -75.02 -44.76 46.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.475 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 43.6 mtm -62.71 -40.55 97.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.57 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 4.3 ttp -73.33 -34.47 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.198 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -39.61 94.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.112 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -46.34 55.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 6.3 t -56.38 -41.26 75.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.615 1.197 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -24.79 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.0 59.49 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.81 158.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -61.78 -166.1 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -136.4 136.71 8.56 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.09 25.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -155.92 121.62 1.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.608 1.192 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 226' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 227' ' ' LYS . 0.5 OUTLIER -171.1 173.32 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.506 0.768 . . . . 0.0 109.586 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 226' ' ' HIS . 0.0 OUTLIER -60.54 163.47 5.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.6 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.12 145.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.3 p -97.96 155.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.937 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 148' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.739 ' O ' HG21 ' A' ' 171' ' ' THR . 6.4 t -88.7 -178.95 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.956 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.817 HD13 ' CG2' ' A' ' 171' ' ' THR . 9.9 mm -85.21 -22.03 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -30.19 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -70.23 -17.36 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.855 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.4 105.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.473 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -137.37 164.72 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 1.0 OUTLIER -107.58 98.39 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -66.81 172.87 28.08 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.88 0.38 Allowed 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.434 1.755 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -82.82 -21.79 34.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.9 137.57 46.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 156.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.568 1.825 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 69.6 t80 -68.02 -33.4 74.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -45.56 94.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 8.3 t80 -65.12 -44.07 89.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.93 -42.62 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.64 -44.47 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -43.01 96.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.855 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.9 t80 -58.62 -47.02 85.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.977 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.52 -21.14 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.8 -44.15 61.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.817 ' CG2' HD13 ' A' ' 150' ' ' ILE . 76.0 m -73.86 -39.38 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -75.65 -11.13 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -74.92 -16.92 60.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 1.9 mt-10 176.31 55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.482 ' O ' HD12 ' A' ' 172' ' ' LEU . 1.9 tt0 179.29 148.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.49 70.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.805 ' HA ' HG23 ' A' ' 181' ' ' VAL . 7.8 t 65.73 32.23 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.392 1.058 . . . . 0.0 109.932 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -20.02 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -178.37 44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.805 HG23 ' HA ' ' A' ' 178' ' ' SER . 18.0 t -55.6 -41.24 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.49 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -92.95 -25.12 18.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -149.01 92.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.812 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -61.12 108.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.2 p -41.12 -58.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.167 . . . . 0.0 110.322 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -38.69 39.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.812 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.09 -34.28 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.417 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.5 mp -72.01 -46.44 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -57.73 -43.56 85.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 202' ' ' LEU . 47.2 t -68.71 -47.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -38.13 89.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -86.83 10.03 17.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -98.21 155.05 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.2 OUTLIER -46.32 171.96 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.41 -47.57 62.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 22.6 t -55.12 -37.35 66.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.35 -46.64 85.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.8 m -62.4 -41.09 98.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 1.075 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -41.97 93.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 191' ' ' VAL . 91.9 mt -70.05 -24.55 63.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.198 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -74.34 -51.51 14.93 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.2 -19.01 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 213' ' ' GLU . 0.2 OUTLIER -77.54 -78.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.762 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -167.89 131.8 2.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.107 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.22 4.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.35 43.83 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.77 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.6 168.21 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.9 t -69.96 179.02 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -54.81 28.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -33.56 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.893 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tt0 -69.25 -45.84 68.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.09 93.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.2 OUTLIER -72.73 -32.36 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -40.54 88.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.075 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.84 -43.6 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 5.7 t -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.269 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -24.71 67.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.616 1.198 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.0 -26.35 58.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.8 154.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -62.96 -165.98 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -164.06 -157.09 9.18 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 74.26 4.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -86.68 -58.6 1.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.95 61.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.567 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.1 OUTLIER -72.17 80.38 0.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.6 138.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.384 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.68 124.28 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 171' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.571 0.224 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.81 ' C ' HG21 ' A' ' 171' ' ' THR . 9.0 t -88.96 178.75 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.063 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.676 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.0 mm -84.82 -21.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.062 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.659 HD23 ' OG ' ' A' ' 149' ' ' SER . 0.7 OUTLIER -62.74 -35.18 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.89 -22.47 67.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.856 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -81.21 96.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 33.7 ptt180 -125.63 167.57 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.9 tt0 -108.08 102.68 11.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -87.41 169.23 39.23 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.448 1.092 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -40.39 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.424 1.749 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -81.05 -24.59 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.419 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 9.2 tt0 -84.87 133.8 42.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.5 Cg_endo -74.98 155.73 43.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 40.1 t80 -66.79 -34.56 78.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -60.75 -46.01 92.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -33.38 74.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.3 t80 -67.63 -42.04 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.93 -42.92 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.63 -44.63 85.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -44.43 93.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.856 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.4 t80 -58.4 -47.09 85.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.79 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.15 -20.81 59.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -72.34 -45.25 60.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.81 HG21 ' C ' ' A' ' 149' ' ' SER . 23.7 m -74.3 -37.99 63.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.06 -44.35 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -85.83 5.83 30.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -94.51 -21.64 18.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.2 OUTLIER -170.01 45.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 175' ' ' GLU . 3.2 tt0 -38.04 99.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . -179.46 146.08 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.12 171.63 12.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.158 . . . . 0.0 109.997 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.93 -15.64 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 184' ' ' ALA . 0.1 OUTLIER 177.83 74.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.256 -179.899 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.58 -45.1 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.215 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -58.51 -52.33 66.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.99 -32.04 73.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 180' ' ' GLU . . . -79.8 157.29 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.906 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -115.93 113.17 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 t -43.81 -48.99 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.62 -37.1 77.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.906 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.38 -32.11 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.9 OUTLIER -72.34 -46.95 53.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.8 tp -58.43 -44.36 89.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.91 HG22 ' CD2' ' A' ' 202' ' ' LEU . 49.2 t -68.26 -45.79 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.13 -37.92 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 0.1 OUTLIER -85.28 3.17 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.06 159.75 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.9 OUTLIER -42.73 165.01 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.608 1.846 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.79 -44.96 63.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.822 ' HA ' HD12 ' A' ' 201' ' ' ILE . 23.7 t -53.53 -35.4 60.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -43.95 76.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.2 m -69.44 -34.43 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 1.076 HG22 ' HB1' ' A' ' 217' ' ' ALA . 44.9 mt -63.16 -41.79 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.211 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.91 ' CD2' HG22 ' A' ' 191' ' ' VAL . 5.7 mp -72.26 -34.22 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.16 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.236 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -85.79 -22.0 27.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.0 OUTLIER -81.02 -69.18 0.62 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 206' ' ' GLY . . . . . 0.876 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -178.97 129.09 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.16 4.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.82 43.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.643 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.93 171.38 15.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 0.702 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 10.9 t -74.92 156.5 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.33 -43.31 10.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.81 -44.8 86.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.23 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.697 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -66.03 -42.25 89.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.2 mmm -61.76 -39.92 93.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.9 OUTLIER -71.05 -34.16 70.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -39.39 92.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 1.076 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.06 -43.05 65.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.537 ' HG ' ' HD1' ' A' ' 161' ' ' PHE . 6.9 t -59.67 -44.94 93.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 108.359 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -25.28 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.82 -23.89 65.87 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.449 1.093 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 201' ' ' ILE . 0.8 OUTLIER -46.65 130.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.355 0.679 . . . . 0.0 109.356 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.72 166.09 3.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -177.66 -82.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 95.81 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 178.41 -136.15 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.411 1.069 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.64 152.31 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.806 . . . . 0.0 109.663 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.7 OUTLIER -153.54 106.1 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.49 169.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.71 123.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.211 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 142.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.921 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 171' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.671 ' C ' HG21 ' A' ' 171' ' ' THR . 28.1 t -81.87 177.8 8.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.051 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.904 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.6 mm -74.72 -19.87 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.2 -36.54 83.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -79.01 66.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -107.27 167.17 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 94.45 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -68.37 -169.49 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -78.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -9.26 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.45 112.88 10.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.83 15.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.037 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.2 t80 -69.43 -34.51 74.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -45.86 92.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.34 -32.96 74.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.505 ' HE1' HD12 ' A' ' 190' ' ' LEU . 3.5 t80 -68.43 -44.58 74.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.34 -46.06 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.95 -43.36 91.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.483 ' CG ' HG13 ' A' ' 153' ' ' ILE . 3.6 tpt180 -65.15 -43.43 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.723 ' CE1' HG23 ' A' ' 186' ' ' THR . 48.4 t80 -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.775 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.6 m-85 -74.85 -21.37 59.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -72.97 -44.65 60.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.904 ' HB ' HD13 ' A' ' 150' ' ' ILE . 54.3 m -74.24 -37.68 63.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.484 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.832 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.0 -49.17 76.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.518 ' N ' HD12 ' A' ' 172' ' ' LEU . 5.9 mtp180 -70.01 -6.05 30.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -77.8 -16.74 58.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.63 47.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.59 120.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.62 69.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.847 ' HA ' HG23 ' A' ' 181' ' ' VAL . 13.5 t 60.74 33.26 20.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.8 -13.0 60.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER 170.28 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.847 HG23 ' HA ' ' A' ' 178' ' ' SER . 55.1 t -52.2 -39.89 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -62.73 -57.86 9.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.91 -20.88 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -91.63 150.38 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.965 ' HB1' ' HB ' ' A' ' 188' ' ' THR . . . -119.79 88.85 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.723 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -72.67 -43.89 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.461 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -68.84 -38.37 79.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.965 ' HB ' ' HB1' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -65.39 -47.03 77.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.452 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -67.62 -45.83 74.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.7 OUTLIER -52.81 -41.84 64.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.921 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 1.1 HG22 HD13 ' A' ' 202' ' ' LEU . 24.4 t -73.51 -51.81 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.83 76.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 30.4 t30 -86.55 11.99 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -105.72 162.63 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -48.25 170.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.59 -52.21 41.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.4 t -54.04 -38.09 64.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -58.25 -43.97 88.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.39 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 73.6 m -65.23 -41.49 94.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.968 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.19 -37.31 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.366 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.1 HD13 HG22 ' A' ' 191' ' ' VAL . 5.6 mt -72.06 -31.82 66.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -68.1 -38.4 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.61 -29.24 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -61.76 -85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.95 155.24 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.58 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.02 52.67 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.531 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.44 163.03 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 210' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.9 OUTLIER -67.97 150.44 48.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -43.81 62.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 212' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 210' ' ' THR . 10.8 tt0 -62.76 -34.29 76.93 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.406 ' CG ' HD21 ' A' ' 205' ' ' LEU . 0.4 OUTLIER -67.01 -45.52 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 54.9 mtm -61.85 -42.01 98.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.582 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.8 ttp -68.26 -34.24 75.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -38.09 84.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.02 -37.86 69.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.675 ' O ' HG12 ' A' ' 221' ' ' VAL . 12.5 t -62.92 -44.37 96.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -26.17 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.25 -26.89 62.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p -51.34 153.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.57 -165.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.438 1.086 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -144.51 141.77 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.61 20.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -55.62 -176.73 0.21 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -62.87 146.08 53.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 0.741 . . . . 0.0 109.618 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -163.21 134.04 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.625 1.203 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 228' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.64 163.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.85 155.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 231' ' ' LEU . . . . . 0.467 HD23 ' C ' ' A' ' 231' ' ' LEU . 6.1 tt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.68 ' C ' HG21 ' A' ' 171' ' ' THR . 4.8 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.688 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.0 mm -78.12 -18.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.28 -34.83 79.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -19.67 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.834 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.3 98.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.84 170.97 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 3.3 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.0 t80 -70.54 -26.99 63.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -46.6 79.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.42 -34.89 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 12.0 t80 -66.46 -43.17 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.76 -43.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.55 -43.88 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CD ' HG13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -63.54 -44.19 94.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.834 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.3 t80 -58.29 -47.07 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.782 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.62 -20.86 59.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -71.6 -45.26 62.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.688 ' HB ' HD13 ' A' ' 150' ' ' ILE . 32.7 m -74.55 -38.17 62.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.798 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.5 -45.0 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.7 6.09 25.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.5 tm-20 -49.02 -37.71 21.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.71 -34.86 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -69.95 -46.41 65.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -58.0 -45.05 87.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.778 HG22 HD13 ' A' ' 202' ' ' LEU . 89.7 t -65.91 -46.4 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -65.03 -37.51 87.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 16.6 t-20 -88.01 6.29 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.51 157.97 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -47.44 174.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.384 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.97 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.23 -54.89 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.7 t -54.46 -37.83 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.655 1.222 . . . . 0.0 108.32 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.71 -44.24 90.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 79.4 m -65.0 -41.65 95.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.352 1.032 . . . . 0.0 110.437 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.99 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -38.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.778 HD13 HG22 ' A' ' 191' ' ' VAL . 5.9 mt -72.04 -33.18 67.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -66.98 -35.66 80.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -32.75 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.899 HD23 ' HB1' ' A' ' 209' ' ' ALA . 0.2 OUTLIER -53.94 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.3 160.3 22.22 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.383 1.052 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 56.69 4.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.75 54.66 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.899 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -79.59 160.24 26.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -79.96 155.04 27.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 210' ' ' THR . 19.7 mt-10 -61.5 -35.07 76.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.424 1.078 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 205' ' ' LEU . 5.2 tp10 -73.63 -38.21 65.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 68.0 mtm -65.45 -48.16 73.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -31.12 68.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 215' ' ' MET . 1.2 m -67.43 -39.12 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.99 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.23 -41.09 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.438 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.6 t -61.71 -45.35 94.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -27.13 68.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.21 -25.41 68.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.8 ' O ' HG21 ' A' ' 171' ' ' THR . 4.7 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.727 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.0 mm -88.58 -20.69 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -30.72 71.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.97 -19.78 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -81.59 106.84 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.506 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 14.0 ttt-85 -148.3 151.58 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.2 pt20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 68.8 t80 -70.35 -30.44 67.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.67 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.96 -33.34 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 7.0 t80 -68.06 -41.42 82.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.3 t -67.49 -43.73 87.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.8 -44.61 86.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.07 -43.98 93.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.4 t80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.337 1.023 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.807 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -74.5 -21.84 59.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -73.14 -44.59 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.8 HG21 ' O ' ' A' ' 149' ' ' SER . 87.8 m -73.98 -35.27 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.07 -44.77 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -26.31 60.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.285 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.9 60.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.07 -30.11 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.8 mt -70.73 -46.89 62.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.709 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -59.06 -43.36 91.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 1.02 HG22 HD23 ' A' ' 202' ' ' LEU . 88.0 t -67.82 -46.85 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.85 -37.95 89.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 27.8 t-20 -87.75 6.59 34.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -98.7 156.12 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -50.75 174.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.95 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.576 1.829 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 201' ' ' ILE . 2.2 m-20 -50.9 -54.53 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.1 t -54.3 -37.89 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -46.18 89.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.0 m -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 1.011 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -38.31 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.02 HD23 HG22 ' A' ' 191' ' ' VAL . 4.7 mp -71.88 -32.13 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -68.37 -36.88 79.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.43 -28.21 41.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -63.97 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.88 156.18 15.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 142.78 53.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.594 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.52 161.22 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.9 OUTLIER -68.77 149.98 48.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 110.364 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.404 HD21 ' OH ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -51.45 -45.23 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 210' ' ' THR . 2.9 tm-20 -64.68 -34.49 78.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.512 ' CG ' HD21 ' A' ' 205' ' ' LEU . 2.1 tp10 -68.08 -42.88 79.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.5 mtp -63.25 -43.56 97.65 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.367 1.042 . . . . 0.0 111.021 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.614 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ttm -68.79 -33.39 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.09 85.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.011 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -71.98 -37.66 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.063 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.467 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.8 t -66.84 -43.63 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 108.357 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -61.81 -26.9 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.59 -23.06 71.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.764 ' O ' HG21 ' A' ' 171' ' ' THR . 5.3 t . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.623 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.6 mm -79.59 -18.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.9 -30.12 70.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.498 ' C ' HD12 ' A' ' 153' ' ' ILE . 40.2 t0 -72.17 -12.67 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.854 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -89.12 96.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 169.28 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.563 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 46.8 t80 -68.33 -33.82 74.99 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -59.73 -45.8 91.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.58 -37.03 84.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 11.7 t80 -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.428 HG21 HD21 ' A' ' 211' ' ' LEU . 3.2 t -67.0 -43.14 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -57.65 -42.18 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.854 ' CA ' HG21 ' A' ' 153' ' ' ILE . 46.7 t80 -58.44 -47.55 83.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.758 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.6 m-85 -76.12 -20.97 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -72.71 -44.62 61.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.764 HG21 ' O ' ' A' ' 149' ' ' SER . 68.1 m -74.43 -38.19 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.54 -50.27 73.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.541 ' N ' HD12 ' A' ' 172' ' ' LEU . 43.0 mtp85 -68.98 -7.97 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.2 pm0 -47.49 -30.3 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.407 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.4 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.61 -46.51 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -57.73 -44.66 86.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.887 HG22 HD13 ' A' ' 202' ' ' LEU . 44.5 t -65.69 -45.94 90.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 15.7 t-20 -87.73 4.72 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.46 157.63 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -48.22 175.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.15 -54.57 24.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 202' ' ' LEU . 34.5 t -55.44 -37.05 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.355 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.4 -46.46 86.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 65.7 m -63.11 -43.06 99.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 1.052 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -63.82 -37.8 80.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.887 HD13 HG22 ' A' ' 191' ' ' VAL . 7.6 mt -72.1 -32.75 67.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -66.1 -36.59 83.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.63 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.942 HD11 ' HB2' ' A' ' 217' ' ' ALA . 1.5 mp -46.76 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.06 157.82 18.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.97 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.78 47.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.539 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.17 157.81 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 2.3 t -83.45 163.01 20.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.668 ' C ' HD13 ' A' ' 211' ' ' LEU . 1.9 tm? -53.63 -50.31 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -34.62 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.465 ' C ' HD21 ' A' ' 205' ' ' LEU . 2.2 tp10 -70.71 -42.68 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.469 ' HE2' HD23 ' A' ' 190' ' ' LEU . 26.1 mtp -64.37 -43.43 94.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 10.1 ttt -69.17 -35.37 76.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -38.54 86.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.457 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.052 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -36.74 68.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.624 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.6 t -67.93 -37.85 82.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -29.78 70.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -72.69 -26.24 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.641 ' O ' HG21 ' A' ' 171' ' ' THR . 8.0 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.546 ' HA ' HD13 ' A' ' 153' ' ' ILE . 8.4 mm -77.2 -18.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.23 -32.99 74.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.431 ' C ' HD12 ' A' ' 153' ' ' ILE . 19.2 t0 -68.47 -15.54 63.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.853 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.96 97.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.47 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.0 ptt180 -125.14 170.02 11.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.585 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tt0 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.207 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 34.7 t80 -69.48 -30.01 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.0 -45.78 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.2 t80 -66.29 -43.02 87.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.601 1.188 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.79 -42.48 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -57.95 -42.99 86.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -44.72 85.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.853 ' CA ' HG21 ' A' ' 153' ' ' ILE . 41.3 t80 -58.31 -47.99 81.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.781 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.6 -20.58 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -72.66 -44.8 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.641 HG21 ' O ' ' A' ' 149' ' ' SER . 95.4 m -74.78 -37.75 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.787 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.51 -45.15 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.78 4.8 20.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 191' ' ' VAL . 18.4 pm0 -67.03 -28.63 68.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.418 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.21 -41.36 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.4 OUTLIER -73.47 -45.79 52.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.645 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.7 OUTLIER -61.13 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 187' ' ' GLU . 46.5 t -69.74 -46.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' LEU . 12.0 t-20 -91.25 15.3 12.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.82 164.72 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.436 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -52.7 174.6 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.02 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.85 -54.25 25.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.8 t -54.45 -37.74 65.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 108.394 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -58.59 -46.59 86.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.5 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.447 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.963 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.01 -35.36 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 202' ' ' LEU . 0.0 OUTLIER -69.6 -34.3 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -39.12 84.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.11 45.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.844 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -65.6 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.21 149.74 7.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 57.32 4.5 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.97 44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.082 . . . . 0.0 111.054 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.58 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.39 162.8 24.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 9.3 t -88.83 161.59 16.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.2 OUTLIER -54.31 -33.67 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -39.88 94.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.571 ' CG ' HD21 ' A' ' 205' ' ' LEU . 1.7 tp10 -75.35 -37.14 60.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.13 -46.21 78.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -72.25 -32.58 66.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.319 1.012 . . . . 0.0 110.985 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . 0.444 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -67.26 -38.96 85.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.963 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.32 -42.37 65.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.582 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.1 t -58.49 -41.73 85.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.82 -25.37 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.38 1.05 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.56 -29.88 57.24 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.697 ' C ' HG21 ' A' ' 171' ' ' THR . 8.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.773 HD13 ' CG2' ' A' ' 171' ' ' THR . 4.1 mm -82.41 -18.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.672 1.232 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.04 -36.73 84.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.47 -21.53 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.827 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -81.54 99.73 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.406 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 2.1 ptt180 -129.34 167.82 17.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.8 tt0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.405 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' A' ' 218' ' ' CYS . 18.5 t80 -66.76 -23.44 66.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.92 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -65.71 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 16.5 t80 -66.39 -43.17 86.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 211' ' ' LEU . 3.1 t -67.39 -43.15 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 170' ' ' LYS . 1.2 m-20 -59.37 -42.09 90.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -67.86 -44.89 76.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.827 ' CA ' HG21 ' A' ' 153' ' ' ILE . 43.5 t80 -58.68 -47.61 83.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.734 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -76.22 -21.1 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 166' ' ' ASP . 18.1 mtpt -71.99 -44.59 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.773 ' CG2' HD13 ' A' ' 150' ' ' ILE . 27.6 m -74.93 -39.01 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.38 -50.25 73.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.529 ' N ' HD12 ' A' ' 172' ' ' LEU . 3.4 mtm180 -66.34 -9.74 36.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.733 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -43.17 27.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 8.6 t -65.76 -36.77 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.8 OUTLIER -72.9 -46.94 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -59.76 -43.5 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 1.081 HG22 HD13 ' A' ' 202' ' ' LEU . 39.6 t -68.65 -47.14 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.3 -38.23 90.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 19.0 t-20 -88.16 11.51 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.415 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -101.6 156.63 17.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.2 OUTLIER -48.41 175.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.239 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.96 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -51.06 -55.16 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.91 -38.04 67.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.03 -45.26 91.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 95.3 m -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.953 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.77 -37.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.081 HD13 HG22 ' A' ' 191' ' ' VAL . 10.4 mt -69.41 -34.84 75.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -36.3 79.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.41 -25.79 46.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.811 HD23 ' HB1' ' A' ' 209' ' ' ALA . 0.3 OUTLIER -58.24 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.31 154.7 11.98 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 56.66 4.37 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.525 1.803 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.42 45.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.811 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -80.42 159.22 25.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.3 t -93.2 160.01 15.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 165' ' ' VAL . 0.6 OUTLIER -52.22 -37.29 54.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.57 -46.73 89.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.624 ' HG3' HD21 ' A' ' 205' ' ' LEU . 2.1 tp10 -63.92 -36.63 84.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 4.4 mtt -63.05 -43.63 98.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.69 -35.39 77.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -37.5 85.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.953 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.16 -38.53 69.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.588 ' O ' HG12 ' A' ' 221' ' ' VAL . 10.7 t -63.87 -41.26 97.8 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.504 1.127 . . . . 0.0 108.363 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -28.38 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.75 -27.74 64.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 O-C-N 124.561 0.801 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.695 ' C ' HG21 ' A' ' 171' ' ' THR . 33.2 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.635 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.5 mm -79.6 -26.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -32.45 71.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.411 ' C ' HD12 ' A' ' 153' ' ' ILE . 1.0 OUTLIER -67.33 -19.4 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.404 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.82 99.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.529 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -125.52 168.59 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 58.6 t80 -67.78 -30.52 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -61.45 -45.78 92.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.231 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -33.49 75.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 11.0 t80 -67.64 -41.16 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.56 -43.03 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.47 -45.88 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -43.79 98.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.3 t80 -58.52 -47.19 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.69 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.76 -20.13 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -71.71 -45.32 62.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.735 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 76.4 m -75.41 -39.36 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -48.18 79.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.209 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.467 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.61 -11.63 26.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 2.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 188' ' ' THR . 15.6 pm0 -75.84 -32.61 59.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.6 OUTLIER -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.34 -46.95 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.471 ' N ' ' CE2' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -57.3 -44.28 83.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.232 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' A' ' 194' ' ' ALA . 36.6 t -70.16 -47.62 66.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -60.23 -38.09 82.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 43.3 t-20 -89.76 15.53 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -91.65 165.58 13.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.409 1.068 . . . . 0.0 109.399 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.481 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -54.13 176.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.99 -52.83 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.3 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.02 -36.86 65.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -57.62 -45.8 84.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.3 m -63.4 -42.15 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.968 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.88 -37.09 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 202' ' ' LEU . 0.3 OUTLIER -72.39 -34.36 67.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -37.8 88.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -80.08 -28.38 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.739 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -66.68 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 170.62 155.01 9.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 57.63 4.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.63 54.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.739 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.97 160.01 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.87 155.96 40.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -50.37 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -35.44 77.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.652 ' HG3' HD21 ' A' ' 205' ' ' LEU . 10.1 tp10 -68.23 -44.88 74.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.213 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 19.3 mtm -63.11 -41.46 99.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.25 -33.37 71.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -39.3 85.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.21 -39.03 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.442 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.7 t -64.41 -45.43 87.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.54 71.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 197' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.573 ' C ' HG21 ' A' ' 171' ' ' THR . 3.6 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.836 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.1 mm -79.13 -19.32 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.89 -37.82 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.98 -21.21 65.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.225 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.845 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -82.79 92.56 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.08 169.97 14.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.118 . . . . 0.0 110.22 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 56.2 t80 -70.34 -27.17 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -66.59 -46.58 75.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.57 -40.27 92.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.433 ' OH ' ' O ' ' A' ' 190' ' ' LEU . 5.1 t80 -62.8 -43.18 99.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.693 HG11 HD11 ' A' ' 211' ' ' LEU . 4.1 t -63.89 -41.85 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -42.81 83.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.24 -42.87 96.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.845 ' CA ' HG21 ' A' ' 153' ' ' ILE . 52.9 t80 -58.2 -47.62 82.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.839 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -74.45 -21.52 59.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.92 -44.63 61.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.836 ' CG2' HD13 ' A' ' 150' ' ' ILE . 45.4 m -74.62 -35.85 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.579 1.175 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -56.98 -45.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -62.86 -13.9 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.364 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -51.55 -40.14 59.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.203 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -29.8 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 110.426 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.39 -47.36 61.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.651 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -58.7 -43.52 90.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.584 1.178 . . . . 0.0 109.34 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 202' ' ' LEU . 55.1 t -67.53 -46.81 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.89 -40.3 96.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.72 7.97 18.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -100.81 159.56 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.3 OUTLIER -46.34 171.41 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 3.7 m-20 -52.58 -49.49 64.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.5 t -54.0 -37.05 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -58.1 -43.92 87.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.412 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.5 m -65.65 -41.57 92.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.959 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.95 -38.93 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 191' ' ' VAL . 4.3 mt -69.37 -33.73 73.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.48 -34.93 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.08 -28.75 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -58.73 -87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.27 152.43 9.95 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.591 1.182 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 56.93 4.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.408 1.741 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.56 44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.24 161.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 15.0 t -89.98 152.67 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.693 HD11 HG11 ' A' ' 165' ' ' VAL . 8.5 tt -45.81 -36.66 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -44.36 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.453 ' HG2' ' CD2' ' A' ' 205' ' ' LEU . 0.6 OUTLIER -67.68 -42.11 82.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 2.7 mtt -63.14 -42.14 99.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.586 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.4 ttt -69.31 -35.11 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -37.75 83.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.959 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.51 -37.92 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.608 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.5 t -63.54 -41.97 98.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 108.333 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -24.52 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.45 -32.98 45.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.422 1.076 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 109.235 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.552 ' O ' HG21 ' A' ' 171' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.722 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.8 mm -77.96 -16.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -67.0 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.401 ' C ' HD12 ' A' ' 153' ' ' ILE . 2.5 t70 -70.01 -15.42 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.832 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.23 90.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.455 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.1 ptt85 -117.58 163.64 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.096 -0.386 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD1' ' SG ' ' A' ' 218' ' ' CYS . 20.2 t80 -67.4 -28.79 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -65.12 -46.79 79.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.6 -34.43 76.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 17.7 t80 -65.76 -42.03 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 8.6 t -68.86 -41.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.91 -41.49 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -44.76 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.832 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.2 t80 -58.82 -47.26 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.66 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -76.19 -21.33 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -72.57 -44.56 61.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.722 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.4 m -73.67 -38.59 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.82 -45.21 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.61 1.22 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.449 ' HG1' ' HE1' ' A' ' 168' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.568 0.223 . . . . 0.0 110.407 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.8 tp10 -64.31 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -39.73 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.445 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.25 -46.3 67.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.5 tp -56.89 -46.5 81.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.629 HG22 HD13 ' A' ' 202' ' ' LEU . 63.1 t -66.09 -45.13 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.53 -37.22 86.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 29.8 t-20 -90.28 6.01 44.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -94.54 156.29 16.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.72 169.73 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.1 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 201' ' ' ILE . 5.0 m-20 -51.13 -49.23 61.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.6 t -54.24 -37.21 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 108.247 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.8 m -64.36 -40.92 96.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.89 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -65.11 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.629 HD13 HG22 ' A' ' 191' ' ' VAL . 8.1 mt -72.39 -27.8 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -70.21 -44.82 67.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.57 -36.7 60.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.88 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -56.82 -72.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.774 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 177.41 141.74 4.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.29 4.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.756 . . . . 0.0 111.021 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 130.34 46.25 0.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.88 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -75.73 167.65 21.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.63 174.34 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.54 -33.93 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 205' ' ' LEU . 0.8 OUTLIER -71.92 -42.88 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 187' ' ' GLU . 2.3 mmt -63.73 -42.19 97.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.523 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 19.4 mtp -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -40.55 94.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.89 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -46.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.589 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 4.4 t -57.58 -36.16 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -25.81 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.73 -24.51 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.215 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.741 ' C ' HG21 ' A' ' 171' ' ' THR . 4.8 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' A' ' 171' ' ' THR . 8.1 mm -73.67 -20.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -38.54 90.86 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.88 -24.77 66.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.619 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.1 mp -77.09 103.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 166.99 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.231 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 1.6 mt-30 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 111.048 -0.404 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.1 t80 -66.24 -34.86 78.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -59.81 -45.44 92.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.83 -33.48 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.471 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 16.9 t80 -68.84 -38.16 79.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.78 -45.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.55 -43.63 84.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -44.51 90.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.59 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.4 t80 -58.33 -47.44 83.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.675 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.68 -21.3 59.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -72.74 -44.78 61.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.741 HG21 ' C ' ' A' ' 149' ' ' SER . 47.8 m -74.39 -37.24 63.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.815 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.44 -46.73 83.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -74.07 -6.08 45.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.282 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.3 pt-20 -47.53 -29.08 2.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.189 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -70.93 -38.18 72.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.16 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 189' ' ' LEU . 0.2 OUTLIER -71.77 -46.3 58.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.21 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.57 -44.0 93.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 187' ' ' GLU . 78.2 t -67.33 -46.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.53 -38.25 90.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.368 1.042 . . . . 0.0 110.245 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 28.8 t-20 -86.4 7.71 24.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.34 158.02 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -47.18 172.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.03 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 21.0 m-20 -52.61 -49.29 65.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.0 t -54.23 -37.16 64.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 108.365 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -58.17 -46.51 85.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 64.6 m -62.74 -41.01 98.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 1.014 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -66.21 -36.29 77.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.469 1.105 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.752 HD23 HD22 ' A' ' 205' ' ' LEU . 0.5 OUTLIER -72.05 -27.64 62.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -72.54 -47.9 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.99 -25.66 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -66.89 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.678 ' H ' HD23 ' A' ' 205' ' ' LEU . . . 179.84 141.02 4.42 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.581 1.176 . . . . 0.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 131.78 49.34 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.888 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.38 167.84 19.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 13.1 t -75.95 159.0 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.7 OUTLIER -47.08 -43.47 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.75 -44.01 85.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.71 ' HB3' ' HB1' ' A' ' 209' ' ' ALA . 0.8 OUTLIER -67.6 -40.08 84.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 6.7 mtt -62.92 -42.83 99.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.576 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.76 -31.68 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 110.962 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -40.04 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.014 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.11 -46.27 57.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.431 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.3 t -55.2 -42.52 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.335 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.8 -24.67 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.03 -22.93 64.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.569 ' C ' HG21 ' A' ' 171' ' ' THR . 8.5 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.768 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -78.92 -18.49 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.77 -34.18 77.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.439 ' C ' HD12 ' A' ' 153' ' ' ILE . 4.4 t70 -67.1 -15.62 63.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.829 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -86.9 78.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.5 168.44 13.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 15.2 t80 -70.55 -32.49 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.71 -45.14 95.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.77 -33.31 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.449 ' HE1' HD12 ' A' ' 190' ' ' LEU . 3.5 t80 -67.78 -41.96 82.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.73 -45.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.212 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -58.84 -43.79 90.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.49 -44.06 79.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.829 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.6 t80 -58.35 -48.12 81.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.854 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.62 -21.95 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -73.15 -44.36 60.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.768 ' CG2' HD13 ' A' ' 150' ' ' ILE . 96.5 m -74.12 -36.48 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -56.95 -46.83 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.412 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 172' ' ' LEU . 15.0 mtt85 -77.29 1.06 19.84 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.406 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -33.81 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.56 -35.95 73.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.8 mt -74.09 -46.86 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.784 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.62 -41.98 82.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.981 HG22 HD13 ' A' ' 202' ' ' LEU . 24.6 t -73.06 -47.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.28 -46.66 89.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 2.0 t-20 -77.14 0.42 21.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.16 163.13 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -45.02 168.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.065 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -52.93 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.406 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.7 OUTLIER -51.37 -51.0 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.44 ' O ' HD12 ' A' ' 202' ' ' LEU . 12.0 t -54.28 -37.31 64.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.75 88.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.383 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.6 m -65.08 -41.61 94.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.951 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.78 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.981 HD13 HG22 ' A' ' 191' ' ' VAL . 3.9 mt -69.56 -31.47 69.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -39.64 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.248 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.8 62.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.8 OUTLIER -52.36 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.44 155.4 12.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.689 1.243 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 57.81 4.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 45.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.647 1.217 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.66 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -79.54 158.21 27.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -91.65 152.68 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.43 HD21 ' CZ ' ' A' ' 169' ' ' TYR . 2.9 mp -44.42 -37.0 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.54 -43.76 98.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.526 ' HG3' HD21 ' A' ' 205' ' ' LEU . 4.2 tp10 -68.8 -42.19 77.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.465 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 2.7 mtt -62.66 -43.01 99.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.563 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -68.74 -35.58 77.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -38.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.951 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.29 -36.4 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.501 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -66.23 -41.99 89.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.88 -25.6 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.58 -28.25 59.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.737 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.504 ' C ' HG21 ' A' ' 171' ' ' THR . 9.3 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.742 HD13 ' HB ' ' A' ' 171' ' ' THR . 2.6 mm -73.09 -19.23 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.61 -36.85 85.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.209 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.7 -21.71 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.633 1.208 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -80.94 100.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.42 164.23 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.615 ' OE1' ' HB1' ' A' ' 194' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.9 t80 -67.48 -36.02 80.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.51 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.64 -35.62 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.72 -40.75 84.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.59 -44.11 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -57.43 -44.83 85.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.92 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 51.2 t80 -58.14 -47.44 83.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.814 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.0 m-85 -73.93 -21.31 60.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -72.4 -45.02 61.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.742 ' HB ' HD13 ' A' ' 150' ' ' ILE . 75.7 m -74.43 -36.42 63.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.34 -48.54 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.475 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -79.83 3.49 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.774 HG23 ' HE1' ' A' ' 168' ' ' PHE . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.4 -39.46 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -35.41 80.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 186' ' ' THR . 4.1 mt -67.54 -46.93 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.6 tp -58.02 -42.8 86.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.503 HG22 HD22 ' A' ' 202' ' ' LEU . 38.3 t -65.97 -48.98 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.049 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.93 92.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 189' ' ' LEU . 17.5 t-20 -88.14 12.92 12.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.398 1.061 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -108.03 148.46 29.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.2 OUTLIER -42.18 164.76 0.1 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.345 1.028 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.06 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.567 1.824 . . . . 0.0 110.986 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -45.98 45.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 44.3 t -58.41 -36.64 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -47.03 84.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -42.23 98.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.968 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -41.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.387 1.054 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.599 HD12 HD22 ' A' ' 205' ' ' LEU . 4.2 tp -69.14 -25.19 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -71.17 -47.62 56.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.89 -19.44 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.388 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.89 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.2 OUTLIER -84.94 -72.55 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.89 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 179.85 131.62 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.47 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.498 1.788 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.94 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.824 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.48 169.25 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 0.748 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 159.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -49.81 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.93 -31.75 68.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.836 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.9 OUTLIER -67.94 -45.29 74.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 53.3 mtm -63.61 -43.82 95.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.566 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.4 ttp -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.06 -40.59 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -70.35 -39.37 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.617 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.1 t -62.54 -43.7 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 108.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -25.34 67.25 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.57 -25.97 62.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.72 ' C ' HG21 ' A' ' 171' ' ' THR . 6.6 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.958 ' HA ' HD13 ' A' ' 153' ' ' ILE . 5.8 mm -78.7 -16.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -27.78 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.1 -7.07 53.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.958 HD13 ' HA ' ' A' ' 150' ' ' ILE . 3.0 mp -94.12 97.49 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 7.2 ttt180 -128.58 162.42 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.579 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 38.9 t80 -55.13 -31.4 61.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -62.1 -45.48 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.27 -36.97 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 12.4 t80 -64.52 -41.65 96.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.8 -42.19 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.57 -41.6 81.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -66.74 -44.91 80.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.808 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.3 t80 -58.84 -47.65 84.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.785 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -76.25 -20.19 57.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.357 1.036 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -46.26 57.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.751 ' CG2' HD13 ' A' ' 150' ' ' ILE . 31.5 m -75.96 -33.05 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -55.09 -39.47 69.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -58.2 -21.15 46.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.372 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.727 HG23 ' HE1' ' A' ' 168' ' ' PHE . 1.6 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 191' ' ' VAL . 2.0 tm-20 -53.45 -47.05 70.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.6 mt -72.57 -47.03 51.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.643 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.7 tp -59.35 -44.4 92.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.987 HG13 HD13 ' A' ' 202' ' ' LEU . 58.4 t -68.9 -44.69 81.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -37.59 87.67 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 15.1 t-20 -88.1 6.63 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -96.52 158.62 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.2 OUTLIER -49.35 175.51 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.427 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -74.96 -52.94 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.43 1.752 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 201' ' ' ILE . 1.5 m-20 -51.48 -54.55 25.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.63 -37.3 65.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.504 1.127 . . . . 0.0 108.36 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -58.21 -44.82 88.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.7 m -64.91 -41.91 95.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.976 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.1 -35.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.09 . . . . 0.0 109.356 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.987 HD13 HG13 ' A' ' 191' ' ' VAL . 6.9 mt -70.11 -35.24 73.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -68.45 -35.52 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -27.97 43.18 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -54.84 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 173.75 154.93 11.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.89 4.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.62 45.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.681 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -78.85 159.93 27.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 0.781 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.3 t -91.28 160.6 15.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.467 HD21 ' OH ' ' A' ' 169' ' ' TYR . 1.5 mm? -51.43 -40.48 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.87 -39.74 86.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.506 ' HG3' HD21 ' A' ' 205' ' ' LEU . 3.2 tp10 -70.27 -38.54 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 1.2 mtt -65.06 -44.34 89.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.579 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 23.3 ttp -70.92 -34.19 71.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -39.0 86.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.976 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.35 -39.68 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.528 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.8 t -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.61 67.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.209 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.46 -29.33 55.96 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.691 ' OG ' HD23 ' A' ' 151' ' ' LEU . 2.2 t . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.632 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.9 mm -80.93 -16.69 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.691 HD23 ' OG ' ' A' ' 149' ' ' SER . 1.3 pp -67.33 -29.47 69.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.434 ' C ' HD12 ' A' ' 153' ' ' ILE . 20.8 t0 -73.8 -13.53 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.4 105.99 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.4 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -140.02 167.1 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 72.8 t80 -70.51 -23.58 62.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -67.37 -46.62 72.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -35.47 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.525 ' CG ' ' HB2' ' A' ' 155' ' ' GLN . 11.2 t80 -65.65 -47.08 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.19 -43.56 96.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -58.0 -43.26 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -44.29 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 53.8 t80 -58.25 -47.07 84.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.642 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.2 -21.71 58.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -44.37 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.649 HG21 ' O ' ' A' ' 149' ' ' SER . 92.4 m -73.89 -39.54 63.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.16 -47.09 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -9.46 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.697 ' O ' HG23 ' A' ' 191' ' ' VAL . 19.8 tp10 -58.5 -38.49 77.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.07 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.3 mt -69.59 -47.27 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.199 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -57.56 -44.14 85.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 187' ' ' GLU . 85.0 t -66.53 -47.15 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.83 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 30.9 t-20 -92.15 17.42 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -114.08 155.47 25.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.483 ' ND2' HE22 ' A' ' 155' ' ' GLN . 5.2 p-10 -41.38 162.17 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.01 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.14 -46.51 45.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.454 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 49.3 t -57.45 -36.27 71.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -63.12 -42.67 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.957 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.27 -36.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.409 HD13 HG22 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -69.56 -33.01 72.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -67.31 -41.21 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.36 54.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -66.71 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.88 154.81 13.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.38 4.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.58 55.07 0.06 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.539 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.42 165.87 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 0.723 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -74.24 152.8 39.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.333 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.91 -44.68 60.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 210' ' ' THR . 1.4 tt0 -61.26 -33.88 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.516 ' HG2' HD21 ' A' ' 205' ' ' LEU . 3.3 tt0 -72.19 -42.42 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -64.76 -47.21 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.609 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.4 ptt? -68.3 -31.64 71.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.1 m -67.83 -38.74 83.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.957 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -71.87 -38.55 70.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.581 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.9 t -63.04 -47.03 84.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -62.02 -29.59 70.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.18 -26.78 69.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.622 ' C ' HG21 ' A' ' 171' ' ' THR . 6.4 t . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.807 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.1 mm -79.95 -20.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.08 -40.27 93.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.52 -24.7 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.827 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -80.88 96.61 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.192 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -134.57 170.68 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 16.9 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.9 t80 -68.55 -30.71 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 111.003 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -46.18 86.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -66.63 -37.09 84.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.259 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 8.6 t80 -65.32 -42.0 93.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.688 HG11 HD21 ' A' ' 211' ' ' LEU . 3.7 t -66.08 -42.27 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -57.59 -44.0 85.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.461 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.2 OUTLIER -63.72 -43.33 96.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.827 ' CA ' HG21 ' A' ' 153' ' ' ILE . 51.6 t80 -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.793 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.16 -21.6 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -72.92 -44.4 61.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.807 ' CG2' HD13 ' A' ' 150' ' ' ILE . 57.2 m -74.2 -37.2 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.49 -50.34 73.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 172' ' ' LEU . 1.0 OUTLIER -68.27 -8.16 37.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.7 pm0 -65.25 -30.58 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.425 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.05 -43.6 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.3 mt -68.67 -46.46 69.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.671 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -57.98 -44.13 86.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.939 HG22 HD13 ' A' ' 202' ' ' LEU . 42.1 t -65.71 -47.64 85.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -38.01 89.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 42.9 t-20 -89.35 13.81 12.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.198 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -103.14 158.98 15.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -48.16 175.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.06 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.829 . . . . 0.0 110.992 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.9 OUTLIER -51.76 -54.08 32.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 202' ' ' LEU . 20.5 t -54.58 -37.5 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.61 -44.52 89.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.9 m -65.15 -41.85 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.951 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -38.69 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.201 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.939 HD13 HG22 ' A' ' 191' ' ' VAL . 5.6 mt -72.4 -29.9 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -70.3 -35.44 73.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.56 -31.1 41.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.831 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -53.26 -84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 164.57 155.49 8.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.34 4.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 167.01 40.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.619 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.02 157.35 26.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 212' ' ' GLU . 7.6 p -101.36 -172.01 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.688 HD21 HG11 ' A' ' 165' ' ' VAL . 1.6 tm? -70.95 -55.39 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 213' ' ' GLU . 1.2 pp20? -54.24 -42.25 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.524 ' HG3' HD21 ' A' ' 205' ' ' LEU . 1.2 tp10 -67.36 -44.22 79.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.85 -42.3 98.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.559 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.41 -32.68 70.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -40.05 89.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.951 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.67 -40.29 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.419 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.8 t -64.81 -38.33 90.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.78 -27.69 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.335 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.19 -25.93 69.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.624 ' C ' HG21 ' A' ' 171' ' ' THR . 8.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.574 ' HA ' HD13 ' A' ' 153' ' ' ILE . 6.8 mm -73.79 -19.08 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -32.66 74.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.458 ' C ' HD12 ' A' ' 153' ' ' ILE . 21.6 t70 -68.41 -14.8 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.838 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -87.25 96.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.519 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 8.5 mtt85 -122.23 164.03 18.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 4.6 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 57.0 t80 -63.53 -29.91 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.194 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -34.21 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 155' ' ' GLN . 14.7 t80 -67.21 -38.92 86.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.9 t -70.79 -41.92 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.68 -44.9 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -44.34 88.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.838 ' CA ' HG21 ' A' ' 153' ' ' ILE . 46.8 t80 -58.19 -47.83 82.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.941 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.38 -21.0 58.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -72.28 -45.19 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.624 HG21 ' C ' ' A' ' 149' ' ' SER . 53.0 m -74.84 -36.58 62.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.941 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -57.06 -42.05 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.94 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 191' ' ' VAL . 9.6 pm0 -60.87 -29.1 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.39 -42.44 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -59.15 -44.07 92.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 187' ' ' GLU . 56.0 t -66.13 -46.39 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.7 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.2 t-20 -87.48 8.98 22.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.59 166.69 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.27 172.71 0.27 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.6 1.187 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -52.54 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -51.58 -50.7 59.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -54.22 -37.91 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.46 -43.37 88.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 85.0 m -65.22 -40.69 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.793 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.7 OUTLIER -63.74 -46.18 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.719 HD13 HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -68.96 -24.43 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -73.4 -49.32 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.389 1.056 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.5 -18.71 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 1.081 HD21 ' HB2' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -78.62 -68.46 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.609 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 166.21 133.45 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 57.17 4.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 164.57 41.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.596 1.185 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 1.081 ' HB2' HD21 ' A' ' 205' ' ' LEU . . . -80.95 162.12 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 213' ' ' GLU . 10.1 t -92.43 154.79 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.9 OUTLIER -39.59 -37.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.59 -51.57 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.754 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.0 OUTLIER -66.06 -38.43 88.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.234 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.604 ' HE2' ' HB3' ' A' ' 209' ' ' ALA . 1.4 mtt -63.51 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.6 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.9 -33.05 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -40.22 88.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.793 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.72 -41.91 67.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.513 ' HG ' ' HD1' ' A' ' 161' ' ' PHE . 5.8 t -61.3 -40.2 93.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.79 -24.65 66.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.282 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.26 -25.26 61.85 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.553 1.158 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.195 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.516 ' C ' HG21 ' A' ' 171' ' ' THR . 3.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.887 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.0 mm -73.07 -18.15 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.5 pp -66.94 -30.85 71.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.7 -15.58 62.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.768 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.75 77.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.2 170.9 8.9 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.574 ' NE2' HD21 ' A' ' 195' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 19.4 t80 -70.81 -32.1 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -46.08 91.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.29 -33.44 75.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.448 ' HE1' HD12 ' A' ' 190' ' ' LEU . 4.1 t80 -66.95 -44.11 81.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.23 -42.5 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 170' ' ' LYS . 1.4 m-20 -58.91 -44.31 91.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -43.27 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.768 ' CA ' HG21 ' A' ' 153' ' ' ILE . 53.7 t80 -58.45 -47.36 84.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.802 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.26 -21.96 55.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.437 ' CE ' ' HB3' ' A' ' 166' ' ' ASP . 14.9 mtmt -72.64 -44.09 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.887 ' HB ' HD13 ' A' ' 150' ' ' ILE . 34.8 m -74.01 -39.28 63.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 0.0 110.445 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.802 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.51 -49.52 76.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 173' ' ' ARG . 2.9 ttp-105 -67.59 -16.0 63.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.472 HG23 ' HE1' ' A' ' 168' ' ' PHE . 15.1 m . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 188' ' ' THR . 0.9 OUTLIER -47.23 -28.89 2.08 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.438 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.07 -35.5 71.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.3 mt -75.39 -44.15 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -58.62 -42.72 88.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.983 HG22 HD13 ' A' ' 202' ' ' LEU . 38.7 t -75.35 -47.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.6 tp60 -60.7 -40.27 91.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 189' ' ' LEU . 2.6 t-20 -88.15 14.9 8.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 109.406 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -111.34 159.94 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.574 HD21 ' NE2' ' A' ' 155' ' ' GLN . 0.2 OUTLIER -42.51 165.3 0.1 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.583 1.833 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.59 -51.92 33.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.458 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 10.6 t -56.37 -36.81 69.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 108.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -57.59 -44.98 85.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 63.6 m -64.16 -42.13 96.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.941 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -37.52 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.983 HD13 HG22 ' A' ' 191' ' ' VAL . 1.4 mt -72.22 -31.93 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -67.02 -38.27 85.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.228 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.53 -30.79 53.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.755 HD21 ' CG ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -57.52 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.83 155.68 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 56.8 4.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 151.69 50.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.745 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.23 157.26 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.799 . . . . 0.0 109.259 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.9 t -93.65 154.57 17.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.532 HD21 ' OH ' ' A' ' 169' ' ' TYR . 2.8 mp -44.81 -36.07 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.46 -50.05 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.755 ' CG ' HD21 ' A' ' 205' ' ' LEU . 4.6 tp10 -68.26 -36.07 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.627 ' HG2' HD21 ' A' ' 202' ' ' LEU . 4.4 mtt -65.21 -46.56 80.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.572 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 1.5 ttp -69.5 -32.69 71.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -38.81 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.941 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.35 -37.67 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.565 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -63.54 -43.26 97.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 108.348 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.16 -26.97 65.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.649 ' O ' HG21 ' A' ' 171' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.704 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.8 mm -80.17 -17.1 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.461 HD23 ' OG ' ' A' ' 149' ' ' SER . 1.5 pp -66.94 -30.68 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 153' ' ' ILE . 11.4 t70 -71.91 -14.47 61.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.838 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.23 98.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.38 171.59 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.751 ' OE1' ' HB1' ' A' ' 194' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.2 t80 -70.35 -34.8 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.03 90.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -62.55 -43.85 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.89 -42.5 96.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.626 1.204 . . . . 0.0 109.284 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -40.88 79.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.41 -44.89 81.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.838 ' CA ' HG21 ' A' ' 153' ' ' ILE . 49.1 t80 -58.13 -47.36 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.84 -21.23 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -72.43 -44.6 62.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.704 ' CG2' HD13 ' A' ' 150' ' ' ILE . 59.7 m -74.04 -39.12 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.91 -47.63 82.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.5 mtt85 -75.78 -7.44 54.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.4 pm0 -66.46 -29.14 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.438 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.22 -38.19 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -46.71 51.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.86 -44.58 94.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.481 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 34.7 t -68.14 -46.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.1 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 13.6 t-20 -94.93 20.39 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -108.84 159.4 16.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.4 OUTLIER -43.18 165.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.04 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.48 -47.4 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 15.1 t -59.1 -35.59 73.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.342 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 3.0 tttm -56.9 -47.33 80.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 53.7 m -62.22 -43.4 98.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.458 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.912 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.28 -37.71 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 191' ' ' VAL . 0.1 OUTLIER -66.69 -35.32 79.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -64.04 -40.32 96.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.88 -26.25 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -61.92 -92.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.68 154.73 13.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.098 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.39 5.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.23 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.578 1.174 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.73 162.54 24.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 3.6 t -94.95 165.27 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.81 -52.15 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -46.14 -39.54 9.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -73.21 -38.91 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.442 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 40.8 mtt -63.86 -44.62 92.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.536 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 34.8 ttp -70.39 -35.66 73.61 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.414 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.912 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.4 -42.65 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.486 ' O ' HG12 ' A' ' 221' ' ' VAL . 11.6 t -57.98 -44.06 86.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.8 -25.33 67.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.91 -28.91 58.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.422 1.077 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.664 ' C ' HG21 ' A' ' 171' ' ' THR . 3.4 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.814 HD13 ' CG2' ' A' ' 171' ' ' THR . 8.5 mm -78.62 -18.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.15 -33.11 75.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.232 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.424 ' C ' HD12 ' A' ' 153' ' ' ILE . 1.7 t0 -68.26 -15.65 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.835 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.84 97.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 8.2 ttm180 -124.05 161.04 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 4.7 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.4 t80 -58.65 -28.18 65.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.81 -34.14 77.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.8 t80 -66.87 -41.01 87.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.44 -42.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.61 -44.68 85.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -44.14 92.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.835 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.4 t80 -58.13 -47.27 83.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.776 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.58 -20.6 58.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.88 -45.16 62.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.814 ' CG2' HD13 ' A' ' 150' ' ' ILE . 25.5 m -74.88 -37.79 62.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -45.41 84.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -84.38 9.91 12.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 110.175 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.6 tp10 -45.31 -30.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.54 -40.46 73.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.434 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 186' ' ' THR . 2.7 mp -71.77 -47.11 55.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -43.82 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.942 HG13 HD22 ' A' ' 202' ' ' LEU . 54.9 t -68.6 -46.51 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -62.89 -38.06 89.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 154' ' ' ARG . 0.1 OUTLIER -87.94 13.05 11.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -87.45 170.24 11.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.464 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.3 m-20 -62.9 175.87 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.98 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.498 1.788 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.85 -46.58 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.9 t -54.0 -36.48 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . 0.513 ' HA ' HD21 ' A' ' 202' ' ' LEU . 9.4 tttm -60.95 -41.69 96.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.2 m -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 110.444 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 1.04 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.23 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.942 HD22 HG13 ' A' ' 191' ' ' VAL . 4.5 pp -69.9 -25.11 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -71.74 -44.89 63.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -20.17 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.838 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.1 OUTLIER -82.8 -68.12 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.838 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 174.81 132.28 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 138.59 44.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.826 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.03 170.62 16.21 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.546 0.792 . . . . 0.0 109.209 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.9 162.17 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 211' ' ' LEU . 2.1 tm? -56.21 -54.89 39.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 3.3 mt-10 -57.22 -27.7 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.835 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.1 OUTLIER -71.64 -44.72 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -46.93 80.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.598 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 5.0 ppp? -69.58 -29.1 66.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 212' ' ' GLU . 1.2 m -67.86 -41.48 82.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.04 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -70.82 -42.06 70.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.652 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.2 t -59.79 -45.82 91.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 108.244 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -26.97 68.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.63 -23.29 67.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.552 1.158 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 218' ' ' CYS . 4.2 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 109.367 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.782 ' O ' HG21 ' A' ' 171' ' ' THR . 1.8 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.726 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.7 mm -87.91 -18.34 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.446 ' HA ' ' ND2' ' A' ' 193' ' ' ASN . 0.5 OUTLIER -64.44 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -70.52 -20.1 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.839 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -80.15 82.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' A' ' 164' ' ' TYR . 5.1 ptt180 -127.9 169.8 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.599 1.187 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 155' ' ' GLN . 2.1 pm0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.5 t80 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -62.27 -44.2 97.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.92 -33.49 75.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 154' ' ' ARG . 3.3 t80 -67.31 -43.36 81.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.61 -45.39 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.386 1.054 . . . . 0.0 109.231 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.37 -45.87 90.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.364 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -66.27 -41.95 89.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.839 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.0 t80 -59.78 -47.37 85.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.776 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.09 -21.77 58.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -72.7 -44.51 61.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.782 HG21 ' O ' ' A' ' 149' ' ' SER . 58.7 m -73.99 -37.43 64.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.93 -49.54 76.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.507 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -64.59 -11.43 34.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.602 HG23 ' HE1' ' A' ' 168' ' ' PHE . 3.3 m . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.792 ' O ' HG23 ' A' ' 191' ' ' VAL . 0.7 OUTLIER -45.02 -34.23 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -37.56 85.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' THR . 3.3 mt -71.31 -46.59 60.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.724 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -54.27 -42.82 70.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.201 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 187' ' ' GLU . 46.8 t -72.37 -47.79 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.56 -52.95 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 151' ' ' LEU . 3.1 t-20 -70.11 -5.22 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.19 153.3 17.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 3.9 p-10 -40.27 160.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -49.13 -46.11 44.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 49.7 t -54.53 -37.33 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -45.75 87.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.9 m -62.8 -40.72 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.424 1.078 . . . . 0.0 110.454 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.806 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -64.18 -43.25 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.35 -22.8 61.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -71.6 -47.29 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.59 -22.96 53.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 1.088 HD13 ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -82.33 -56.5 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.362 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.651 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 168.37 127.13 0.89 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.48 44.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.644 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.25 167.2 20.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -59.04 167.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 210' ' ' THR . 6.2 tt -56.23 -56.74 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -32.1 53.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.553 ' CG ' ' HB1' ' A' ' 209' ' ' ALA . 1.7 tt0 -67.52 -46.68 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.09 97.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.8 ttm -70.24 -31.98 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -39.99 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.088 ' HB2' HD13 ' A' ' 205' ' ' LEU . . . -71.45 -42.81 67.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.439 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.0 t -58.94 -45.89 89.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.68 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.09 -22.85 64.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 201' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.358 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.74 ' O ' HG21 ' A' ' 171' ' ' THR . 1.7 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.764 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.5 mm -83.82 -18.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.18 -22.83 63.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.67 HG22 ' CE1' ' A' ' 164' ' ' TYR . 1.2 mp -76.3 119.5 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.43 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 10.0 ptt180 -152.59 164.24 38.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.227 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.445 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 76.1 t80 -70.49 -22.65 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -45.66 82.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.177 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -64.0 -39.43 94.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.223 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.67 ' CE1' HG22 ' A' ' 153' ' ' ILE . 12.5 t80 -63.03 -44.75 95.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 169' ' ' TYR . 5.1 t -61.7 -43.18 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -42.77 85.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -66.67 -44.82 80.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.61 ' CA ' HG21 ' A' ' 153' ' ' ILE . 62.3 t80 -58.25 -47.12 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.658 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.0 m-85 -74.35 -22.71 59.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.93 -44.57 61.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.224 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.764 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.8 m -74.03 -35.14 64.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.462 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.65 -39.81 74.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -61.4 -32.05 71.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.409 ' CD ' ' C ' ' A' ' 187' ' ' GLU . 3.4 tm-20 -51.03 -39.49 56.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -28.49 68.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -72.23 -47.0 53.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.602 1.189 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.752 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -58.7 -44.94 90.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.62 -46.68 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.09 89.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 36.7 t-20 -92.42 17.66 9.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -113.02 160.54 18.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 4.0 p-10 -41.81 162.43 0.14 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -75.1 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.27 -44.75 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.463 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 43.2 t -59.28 -35.75 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -56.73 -47.07 80.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 51.6 m -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.942 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.27 -34.63 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 202' ' ' LEU . 0.1 OUTLIER -69.88 -34.6 73.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -67.53 -38.25 83.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.143 . . . . 0.0 109.404 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.59 -23.03 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.46 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.3 153.42 10.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 57.89 4.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 152.46 49.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -79.9 155.33 27.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 213' ' ' GLU . 9.5 t -94.27 149.01 21.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.879 HD13 ' N ' ' A' ' 212' ' ' GLU . 0.0 OUTLIER -41.43 -31.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.879 ' N ' HD13 ' A' ' 211' ' ' LEU . 4.4 tt0 -67.92 -51.14 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.539 ' CG ' HD21 ' A' ' 205' ' ' LEU . 1.5 tp10 -66.39 -39.82 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 25.7 mtm -63.33 -42.99 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.7 ttp -68.92 -35.4 76.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -37.96 85.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.942 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.15 -37.52 69.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.619 ' O ' HG12 ' A' ' 221' ' ' VAL . 10.1 t -63.57 -46.2 86.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.227 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.71 -29.98 53.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.593 1.183 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.755 ' C ' HG21 ' A' ' 171' ' ' THR . 6.2 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.931 ' HA ' HD13 ' A' ' 153' ' ' ILE . 5.7 mm -76.98 -15.75 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.5 -30.36 70.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.72 -7.95 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.931 HD13 ' HA ' ' A' ' 150' ' ' ILE . 2.6 mp -94.56 96.98 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.464 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -126.68 162.57 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 195' ' ' ASN . 19.3 tt0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 55.0 t80 -66.39 -30.87 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -45.47 92.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.93 -35.16 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.464 ' CE1' ' C ' ' A' ' 154' ' ' ARG . 12.6 t80 -66.23 -43.08 87.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.32 -42.94 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.072 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -57.51 -43.73 84.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -42.8 98.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.831 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.0 t80 -59.34 -47.47 85.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.732 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.21 -19.01 58.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.28 -46.24 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.765 ' CG2' HD13 ' A' ' 150' ' ' ILE . 12.9 m -75.89 -39.12 57.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.65 -44.94 81.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.3 10.54 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.979 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.545 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.545 ' N ' HG22 ' A' ' 186' ' ' THR . 0.8 OUTLIER -45.07 -33.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -40.01 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' ASN . 1.8 mp -69.75 -46.78 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.4 tp -57.09 -44.35 83.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.388 1.055 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.673 HG22 ' HE3' ' A' ' 214' ' ' MET . 39.8 t -66.76 -46.82 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -37.85 88.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 47.4 t-20 -92.25 17.11 10.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.39 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -101.59 178.36 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 155' ' ' GLN . 0.3 OUTLIER -61.25 169.66 2.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.04 -45.37 61.28 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.404 ' SG ' HD23 ' A' ' 202' ' ' LEU . 41.9 t -54.56 -36.06 63.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -47.13 82.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 66.5 m -62.39 -42.41 99.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.944 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.06 -34.61 69.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.614 HD11 ' HG2' ' A' ' 214' ' ' MET . 0.5 OUTLIER -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -66.6 -38.79 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.82 -24.5 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.05 -84.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.52 147.63 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 44.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.492 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.4 164.54 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 213' ' ' GLU . 14.6 t -88.46 147.93 24.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.491 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -34.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.389 1.056 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.02 -46.4 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.726 ' HG3' HD21 ' A' ' 205' ' ' LEU . 2.4 tp10 -67.16 -39.03 86.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.673 ' HE3' HG22 ' A' ' 191' ' ' VAL . 3.2 mtp -64.03 -41.23 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.589 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.8 ttt -71.58 -34.26 69.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -38.64 86.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.944 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.32 -41.83 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.476 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -59.31 -45.29 91.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.06 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.053 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.94 -29.71 53.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.716 ' O ' HG21 ' A' ' 171' ' ' THR . 6.3 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.723 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -79.85 -17.41 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.54 -25.27 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.447 ' C ' HD12 ' A' ' 153' ' ' ILE . 16.0 t70 -78.38 -10.4 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.72 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.1 mp -86.27 90.53 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 166.22 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.571 ' HB2' ' CD1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.179 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.402 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 9.7 t80 -71.32 -29.13 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -47.97 82.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -67.46 -32.83 73.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 155' ' ' GLN . 32.6 t80 -66.48 -46.49 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 211' ' ' LEU . 3.2 t -62.79 -43.11 98.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.58 -40.63 83.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -68.03 -46.6 70.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.72 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.0 t80 -57.92 -47.08 83.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.645 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.63 -21.83 57.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -44.24 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.723 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.9 m -74.18 -38.93 63.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.79 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.94 -43.47 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -0.14 32.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.55 HG23 ' H ' ' A' ' 187' ' ' GLU . 1.2 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.55 ' H ' HG23 ' A' ' 186' ' ' THR . 2.7 pm0 -55.24 -30.22 59.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.425 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.4 OUTLIER -70.11 -37.19 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.4 mt -69.9 -46.29 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.74 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.14 -43.47 82.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.392 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 48.0 t -68.5 -48.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -38.42 88.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 34.1 t-20 -91.37 17.79 8.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -111.59 160.83 16.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.546 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 2.0 p-10 -42.11 163.44 0.13 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -49.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -49.62 -48.29 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.46 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 20.6 t -56.12 -35.64 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -56.69 -46.77 81.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 33.7 m -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.917 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.58 -34.96 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.492 HD11 ' HG2' ' A' ' 214' ' ' MET . 0.1 OUTLIER -69.86 -34.23 73.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -66.61 -39.95 88.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.8 -26.64 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -64.96 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.82 149.94 8.82 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.73 4.64 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.14 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 213' ' ' GLU . . . -80.04 161.81 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 0.823 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 14.2 t -92.03 160.56 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.745 ' C ' HD13 ' A' ' 211' ' ' LEU . 0.4 OUTLIER -47.55 -39.98 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.425 ' N ' HD13 ' A' ' 211' ' ' LEU . 0.1 OUTLIER -62.59 -37.46 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.739 ' HB3' ' HB1' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -68.53 -46.79 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.63 1.206 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.492 ' HG2' HD11 ' A' ' 202' ' ' LEU . 22.0 mtt -63.82 -41.9 97.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.6 OUTLIER -67.76 -34.96 77.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.943 ' HB2' HD11 ' A' ' 205' ' ' LEU . . . -71.44 -36.95 71.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.561 ' O ' HG12 ' A' ' 221' ' ' VAL . 33.0 t -61.47 -46.22 90.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -28.96 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.41 -27.51 67.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.731 ' C ' HG21 ' A' ' 171' ' ' THR . 3.1 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.758 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.7 mm -81.89 -17.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.202 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.37 -31.83 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.73 -20.15 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -78.01 70.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 159.51 17.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.432 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.8 pt20 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.942 -0.445 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.3 t80 -69.62 -27.95 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.42 -32.56 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 4.0 t80 -67.8 -39.07 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.53 -46.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.77 -42.2 88.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -66.43 -42.52 87.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.638 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.0 t80 -59.96 -47.19 86.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.715 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -74.28 -22.25 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -73.31 -44.53 58.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.372 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.758 ' HB ' HD13 ' A' ' 150' ' ' ILE . 52.7 m -74.0 -34.61 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.776 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.37 -40.07 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.45 63.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.48 -37.36 48.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 192' ' ' GLN . 0.7 OUTLIER -67.36 -32.85 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.19 -46.06 36.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.571 ' CD2' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -55.28 -44.49 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.671 HG13 HD13 ' A' ' 202' ' ' LEU . 69.1 t -75.92 -46.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.8 tp60 -57.77 -43.09 85.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 36.8 t30 -78.14 0.97 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -93.48 157.48 16.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.388 1.055 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -47.04 172.27 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.388 1.73 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.425 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.15 -52.99 30.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 33.9 t -53.36 -38.1 62.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.01 -43.41 86.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 93.1 m -64.74 -40.29 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.654 HG22 ' HB1' ' A' ' 217' ' ' ALA . 1.0 OUTLIER -63.59 -43.76 98.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.671 HD13 HG13 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -69.22 -26.78 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -39.81 66.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.4 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 1.036 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -81.77 -53.67 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.502 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 149.11 132.12 2.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.64 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 168.92 39.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.408 1.068 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 1.036 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -81.17 159.9 24.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 0.735 . . . . 0.0 109.284 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 214' ' ' MET . 8.9 t -89.91 -171.14 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.417 ' N ' ' OG1' ' A' ' 210' ' ' THR . 0.1 OUTLIER -64.89 -48.51 73.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.21 -44.34 95.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.6 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -68.91 -46.01 69.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.571 ' CE ' ' CD2' ' A' ' 190' ' ' LEU . 39.2 mtp -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.0 ttt -70.85 -33.28 70.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -39.9 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.654 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.41 -41.41 69.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.497 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.8 t -62.33 -40.07 95.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.263 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -26.51 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.92 -27.85 61.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.45 ' O ' HD13 ' A' ' 153' ' ' ILE . 33.3 t . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.787 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.7 mm -71.62 -18.24 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.54 -29.22 68.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 153' ' ' ILE . 12.0 t70 -72.48 -14.43 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.854 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.52 106.35 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.479 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -144.37 153.46 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 2.1 pt20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.937 -0.447 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 77.1 t80 -70.32 -31.96 69.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -60.77 -45.9 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.09 -35.09 79.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 6.9 t80 -66.07 -40.25 90.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 211' ' ' LEU . 18.3 t -69.73 -40.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.02 94.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.854 ' CA ' HG21 ' A' ' 153' ' ' ILE . 52.5 t80 -58.62 -46.74 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.963 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.44 -21.38 58.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -72.74 -43.93 62.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.787 ' HB ' HD13 ' A' ' 150' ' ' ILE . 86.5 m -73.74 -40.39 63.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.963 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.7 -44.68 86.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -71.41 -5.99 36.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.708 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.797 ' O ' HG23 ' A' ' 191' ' ' VAL . 0.2 OUTLIER -47.84 -30.24 3.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.411 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.03 -34.44 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 186' ' ' THR . 1.0 OUTLIER -73.34 -46.27 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.634 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.5 OUTLIER -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 187' ' ' GLU . 85.1 t -68.56 -45.6 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -38.17 89.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 12.9 t-20 -88.27 9.84 21.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.92 158.1 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.649 1.218 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -50.52 176.62 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -75.05 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.4 OUTLIER -51.1 -54.9 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 202' ' ' LEU . 21.8 t -54.93 -39.86 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -47.06 85.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.4 m -61.5 -41.21 96.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.85 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.96 -44.65 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.569 HD13 HG13 ' A' ' 191' ' ' VAL . 0.4 OUTLIER -68.53 -23.06 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.46 -52.21 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.14 -18.01 61.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 1.03 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -80.66 -68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.357 179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.615 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 160.94 133.1 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.19 4.15 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.12 38.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 1.03 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -81.02 159.8 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 213' ' ' GLU . 10.1 t -90.17 155.94 18.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.664 HD11 HG11 ' A' ' 165' ' ' VAL . 8.3 tt -41.3 -34.08 0.46 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -46.9 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.233 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.84 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.5 OUTLIER -70.11 -37.01 75.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.458 ' HG2' ' HB3' ' A' ' 209' ' ' ALA . 4.9 mtm -64.36 -47.16 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ptt? -70.01 -29.85 67.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 215' ' ' MET . 0.9 OUTLIER -67.12 -40.08 86.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.354 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.85 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.79 -42.76 66.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.529 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.9 t -59.88 -38.75 83.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -25.68 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.85 -25.46 64.63 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.832 ' C ' HG21 ' A' ' 171' ' ' THR . 7.8 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.55 -13.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -19.24 65.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.594 ' HA ' HH21 ' A' ' 154' ' ' ARG . 4.8 t0 -89.74 -15.09 33.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.687 HG21 ' CA ' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -68.63 116.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.225 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.594 HH21 ' HA ' ' A' ' 152' ' ' ASP . 19.1 ptp180 -148.29 163.03 38.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.9 pt20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.972 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.6 t80 -65.96 -28.75 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -45.36 87.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.83 -37.71 86.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 154' ' ' ARG . 4.9 t80 -65.56 -42.69 91.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.93 -42.85 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -57.56 -42.15 82.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -44.45 90.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 150' ' ' ILE . 50.8 t80 -58.55 -47.04 85.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.648 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.25 -20.94 58.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.53 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.832 HG21 ' C ' ' A' ' 149' ' ' SER . 33.8 m -73.56 -40.05 64.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.5 -45.08 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.256 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -10.21 59.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 191' ' ' VAL . 2.3 tp10 -52.65 -44.22 66.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.0 mt -67.26 -46.63 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -58.4 -43.68 88.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 187' ' ' GLU . 62.0 t -65.73 -47.57 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.56 -39.1 93.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.9 t-20 -88.19 10.84 18.09 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -102.53 166.71 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.19 166.68 0.64 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -44.81 62.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.494 ' SG ' HD13 ' A' ' 202' ' ' LEU . 19.5 t -54.24 -36.94 64.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.62 -46.98 85.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 88.2 m -62.14 -41.13 97.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.966 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.66 -40.88 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.503 ' CD2' HG22 ' A' ' 191' ' ' VAL . 6.3 mp -72.18 -22.31 61.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -44.37 46.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.19 45.53 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -74.57 -73.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.838 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -176.19 137.34 3.62 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 56.89 4.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 129.41 48.62 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.855 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.07 168.53 19.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.81 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 211' ' ' LEU . 1.2 tm? -58.7 -59.29 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.4 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 1.8 mp0 -49.17 -31.67 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.744 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.6 OUTLIER -72.78 -45.62 57.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.414 ' SD ' HD21 ' A' ' 202' ' ' LEU . 0.0 OUTLIER -63.28 -45.78 89.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.603 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -30.85 67.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . 0.445 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -66.05 -40.4 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.966 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.07 -44.0 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.536 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.6 t -59.35 -39.04 81.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.94 -26.23 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.01 -22.63 68.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 218' ' ' CYS . 2.2 p . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.699 ' C ' HG21 ' A' ' 171' ' ' THR . 9.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.843 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -66.41 -14.24 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -21.19 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.35 -18.95 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.7 OUTLIER -67.5 108.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.6 168.64 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 60.0 mt-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.232 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 71.0 t80 -70.33 -32.89 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.79 -45.31 94.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.6 -35.76 80.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 9.8 t80 -65.36 -42.4 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.3 -44.25 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.361 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.61 -41.89 82.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CG ' HG13 ' A' ' 153' ' ' ILE . 1.5 tpp180 -64.68 -42.91 95.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.843 ' CE2' HD11 ' A' ' 150' ' ' ILE . 49.1 t80 -58.39 -47.43 83.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.578 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -44.12 63.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.699 HG21 ' C ' ' A' ' 149' ' ' SER . 10.1 m -74.0 -37.82 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.03 -43.71 97.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -75.85 -2.04 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.773 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.831 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.2 tm-20 -68.76 -36.51 78.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.53 -41.46 75.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -69.31 -46.53 66.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.398 1.061 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 2.2 tp -57.1 -44.08 82.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 1.025 HG22 HD23 ' A' ' 202' ' ' LEU . 81.7 t -66.85 -47.14 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.63 -38.23 90.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 17.9 t-20 -89.08 14.14 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -106.3 159.74 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -45.21 168.84 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.97 -45.68 64.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.7 t -54.69 -36.62 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.2 -45.13 88.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.9 m -63.82 -41.46 97.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 1.075 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.67 -43.48 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.18 -179.891 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.025 HD23 HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -70.33 -26.48 63.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -42.15 76.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -81.65 -20.37 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.994 HD13 ' HB2' ' A' ' 217' ' ' ALA . 5.6 tp -59.12 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.86 145.32 4.96 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.395 1.06 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.27 4.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.56 ' HB3' HD23 ' A' ' 205' ' ' LEU . . . -79.97 161.87 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 4.7 t -79.3 -177.49 5.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.064 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 211' ' ' LEU . 0.9 OUTLIER -68.34 -51.88 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.21 -35.07 48.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.578 ' HG3' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -70.41 -45.51 65.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 15.5 mtm -62.29 -42.06 99.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.6 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.3 OUTLIER -70.37 -34.1 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -39.12 89.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.352 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.075 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.17 -40.53 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.44 -45.81 91.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -25.08 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.83 -23.14 64.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.168 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.49 0.759 . . . . 0.0 109.382 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.858 ' C ' HG21 ' A' ' 171' ' ' THR . 5.1 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.875 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.45 -13.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.555 HD23 ' OG ' ' A' ' 149' ' ' SER . 2.1 pp -68.12 -19.2 64.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -89.15 -15.47 33.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.613 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.6 OUTLIER -67.94 92.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 1.5 ttt85 -111.48 155.42 23.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.383 1.052 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.552 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.293 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.958 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.6 t80 -66.69 -32.04 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -45.78 90.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.64 -35.41 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 34.6 t80 -66.86 -40.16 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.8 t -70.92 -41.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -57.98 -43.55 86.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -45.85 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.875 ' CE2' HD11 ' A' ' 150' ' ' ILE . 53.1 t80 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.67 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.41 -21.49 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -68.62 -45.21 72.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.858 HG21 ' C ' ' A' ' 149' ' ' SER . 34.4 m -75.09 -41.3 59.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.06 -50.12 74.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.413 ' N ' HD12 ' A' ' 172' ' ' LEU . 2.8 mtt-85 -65.32 -16.36 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.556 0.217 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.475 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 2.8 tt0 -50.16 -32.16 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 0.0 110.231 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -30.99 68.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.9 mt -72.34 -46.49 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -59.59 -44.46 93.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.839 HG13 HD13 ' A' ' 202' ' ' LEU . 42.3 t -67.86 -46.51 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.29 -38.18 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.229 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 189' ' ' LEU . 20.1 t-20 -86.22 7.46 25.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.181 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.53 155.62 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -48.36 175.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -75.07 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -51.19 57.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.77 -37.32 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -58.18 -47.33 83.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.7 m -62.53 -40.14 95.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 1.112 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -68.51 -32.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.839 HD13 HG13 ' A' ' 191' ' ' VAL . 1.7 mt -72.09 -31.91 66.52 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.464 1.103 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -72.75 -44.22 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.67 -19.19 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.966 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -73.52 -76.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.767 ' H ' HD23 ' A' ' 205' ' ' LEU . . . -178.64 138.0 3.46 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.02 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.2 43.73 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.966 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.61 166.9 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -75.65 175.13 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 210' ' ' THR . 2.7 tm? -59.21 -58.3 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.6 ' HG3' HG23 ' A' ' 210' ' ' THR . 0.0 OUTLIER -46.72 -31.21 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.581 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.9 OUTLIER -75.02 -44.76 46.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.475 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 43.6 mtm -62.71 -40.55 97.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.57 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 4.3 ttp -73.33 -34.47 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.198 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -39.61 94.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.112 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -46.34 55.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 6.3 t -56.38 -41.26 75.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.615 1.197 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -24.79 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.0 59.49 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.739 ' O ' HG21 ' A' ' 171' ' ' THR . 6.4 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.817 HD13 ' CG2' ' A' ' 171' ' ' THR . 9.9 mm -85.21 -22.03 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -30.19 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -70.23 -17.36 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.855 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.4 105.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.473 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -137.37 164.72 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.822 0 N-CA-C 110.887 -0.467 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 69.6 t80 -68.02 -33.4 74.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -45.56 94.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 8.3 t80 -65.12 -44.07 89.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.93 -42.62 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.64 -44.47 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -43.01 96.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.855 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.9 t80 -58.62 -47.02 85.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.977 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.52 -21.14 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.8 -44.15 61.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.817 ' CG2' HD13 ' A' ' 150' ' ' ILE . 76.0 m -73.86 -39.38 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -75.65 -11.13 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -38.69 39.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -34.28 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.5 mp -72.01 -46.44 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -57.73 -43.56 85.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 202' ' ' LEU . 47.2 t -68.71 -47.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -38.13 89.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 35.6 t-20 -86.83 10.03 17.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -98.21 155.05 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.2 OUTLIER -46.32 171.96 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.41 -47.57 62.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 22.6 t -55.12 -37.35 66.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.35 -46.64 85.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.8 m -62.4 -41.09 98.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 1.075 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -41.97 93.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 191' ' ' VAL . 91.9 mt -70.05 -24.55 63.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.198 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -74.34 -51.51 14.93 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.2 -19.01 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 213' ' ' GLU . 0.2 OUTLIER -77.54 -78.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.762 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -167.89 131.8 2.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.107 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.22 4.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.35 43.83 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.77 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.6 168.21 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.9 t -69.96 179.02 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -54.81 28.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -33.56 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.893 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tt0 -69.25 -45.84 68.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.09 93.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.2 OUTLIER -72.73 -32.36 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -40.54 88.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.075 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.84 -43.6 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 5.7 t -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.269 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -24.71 67.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.616 1.198 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.0 -26.35 58.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.81 ' C ' HG21 ' A' ' 171' ' ' THR . 9.0 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.676 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.0 mm -84.82 -21.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.062 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.659 HD23 ' OG ' ' A' ' 149' ' ' SER . 0.7 OUTLIER -62.74 -35.18 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.89 -22.47 67.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.856 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -81.21 96.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 33.7 ptt180 -125.63 167.57 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.9 tt0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 40.1 t80 -66.79 -34.56 78.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -60.75 -46.01 92.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -33.38 74.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.3 t80 -67.63 -42.04 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.93 -42.92 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.63 -44.63 85.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -44.43 93.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.856 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.4 t80 -58.4 -47.09 85.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.79 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.15 -20.81 59.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -72.34 -45.25 60.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.81 HG21 ' C ' ' A' ' 149' ' ' SER . 23.7 m -74.3 -37.99 63.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.06 -44.35 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -85.83 5.83 30.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.62 -37.1 77.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.38 -32.11 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.9 OUTLIER -72.34 -46.95 53.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.8 tp -58.43 -44.36 89.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.91 HG22 ' CD2' ' A' ' 202' ' ' LEU . 49.2 t -68.26 -45.79 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.13 -37.92 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 0.1 OUTLIER -85.28 3.17 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.06 159.75 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.9 OUTLIER -42.73 165.01 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.608 1.846 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.79 -44.96 63.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.822 ' HA ' HD12 ' A' ' 201' ' ' ILE . 23.7 t -53.53 -35.4 60.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -43.95 76.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.2 m -69.44 -34.43 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 1.076 HG22 ' HB1' ' A' ' 217' ' ' ALA . 44.9 mt -63.16 -41.79 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.211 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.91 ' CD2' HG22 ' A' ' 191' ' ' VAL . 5.7 mp -72.26 -34.22 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.16 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.236 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -85.79 -22.0 27.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.0 OUTLIER -81.02 -69.18 0.62 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . 0.876 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -178.97 129.09 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.16 4.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.82 43.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.643 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.93 171.38 15.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 0.702 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 10.9 t -74.92 156.5 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.33 -43.31 10.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.81 -44.8 86.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.23 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.697 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -66.03 -42.25 89.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.2 mmm -61.76 -39.92 93.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.9 OUTLIER -71.05 -34.16 70.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -39.39 92.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 1.076 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.06 -43.05 65.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.537 ' HG ' ' HD1' ' A' ' 161' ' ' PHE . 6.9 t -59.67 -44.94 93.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 108.359 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -25.28 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.82 -23.89 65.87 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.449 1.093 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 201' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.355 0.679 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.671 ' C ' HG21 ' A' ' 171' ' ' THR . 28.1 t . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.904 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.6 mm -74.72 -19.87 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.2 -36.54 83.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -79.01 66.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -107.27 167.17 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.2 t80 -69.43 -34.51 74.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -45.86 92.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.34 -32.96 74.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' TYR . . . . . 0.505 ' HE1' HD12 ' A' ' 190' ' ' LEU . 3.5 t80 -68.43 -44.58 74.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.34 -46.06 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.95 -43.36 91.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.483 ' CG ' HG13 ' A' ' 153' ' ' ILE . 3.6 tpt180 -65.15 -43.43 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.723 ' CE1' HG23 ' A' ' 186' ' ' THR . 48.4 t80 -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' TYR . . . . . 0.775 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.6 m-85 -74.85 -21.37 59.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -72.97 -44.65 60.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.904 ' HB ' HD13 ' A' ' 150' ' ' ILE . 54.3 m -74.24 -37.68 63.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.484 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.832 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.0 -49.17 76.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . 0.518 ' N ' HD12 ' A' ' 172' ' ' LEU . 5.9 mtp180 -70.01 -6.05 30.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.723 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.461 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -68.84 -38.37 79.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.03 77.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.452 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -67.62 -45.83 74.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.7 OUTLIER -52.81 -41.84 64.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.921 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 1.1 HG22 HD13 ' A' ' 202' ' ' LEU . 24.4 t -73.51 -51.81 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.83 76.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 189' ' ' LEU . 5.6 t-20 -86.55 11.99 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -105.72 162.63 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -48.25 170.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.59 -52.21 41.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.4 t -54.04 -38.09 64.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -58.25 -43.97 88.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.39 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 73.6 m -65.23 -41.49 94.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.968 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.19 -37.31 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.366 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.1 HD13 HG22 ' A' ' 191' ' ' VAL . 5.6 mt -72.06 -31.82 66.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -68.1 -38.4 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.61 -29.24 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 205' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -61.76 -85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.95 155.24 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.58 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.02 52.67 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 209' ' ' ALA . . . . . 0.531 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.44 163.03 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 210' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.9 OUTLIER -67.97 150.44 48.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -43.81 62.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 212' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 210' ' ' THR . 10.8 tt0 -62.76 -34.29 76.93 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.406 ' CG ' HD21 ' A' ' 205' ' ' LEU . 0.4 OUTLIER -67.01 -45.52 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 54.9 mtm -61.85 -42.01 98.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 215' ' ' MET . . . . . 0.582 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.8 ttp -68.26 -34.24 75.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -38.09 84.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.02 -37.86 69.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 218' ' ' CYS . . . . . 0.675 ' O ' HG12 ' A' ' 221' ' ' VAL . 12.5 t -62.92 -44.37 96.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -26.17 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.25 -26.89 62.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 221' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.573 0.225 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.68 ' C ' HG21 ' A' ' 171' ' ' THR . 4.8 t -89.95 175.0 7.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.061 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.688 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.0 mm -78.12 -18.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pp -64.28 -34.83 79.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.398 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -19.67 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.834 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.3 98.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.84 170.97 14.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.582 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 3.3 mt-30 -81.52 93.5 6.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.83 161.87 17.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -63.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.523 1.802 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -77.21 -17.68 58.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -82.48 133.31 50.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.24 16.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.0 t80 -70.54 -26.99 63.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -46.6 79.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.42 -34.89 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.582 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 12.0 t80 -66.46 -43.17 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.76 -43.92 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.55 -43.88 84.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CD ' HG13 ' A' ' 153' ' ' ILE . 0.0 OUTLIER -63.54 -44.19 94.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.834 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.3 t80 -58.29 -47.07 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.953 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.782 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.62 -20.86 59.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -71.6 -45.26 62.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.688 ' HB ' HD13 ' A' ' 150' ' ' ILE . 32.7 m -74.55 -38.17 62.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.798 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.5 -45.0 85.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -84.7 6.09 25.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -96.12 -18.1 20.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 177' ' ' ALA . 17.0 tt0 -160.63 35.45 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.1 OUTLIER -38.0 97.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.99 157.14 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.211 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.481 ' CB ' HG22 ' A' ' 181' ' ' VAL . 1.1 t -178.26 155.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.078 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.14 -13.33 26.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.91 66.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.238 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 178' ' ' SER . 97.4 t -62.8 -41.17 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.344 1.028 . . . . 0.0 109.275 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -57.61 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -62.73 -29.31 70.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.1 39.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.407 1.067 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.713 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -135.0 99.71 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 6.5 p -39.96 -58.71 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.5 tm-20 -49.02 -37.71 21.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -67.71 -34.86 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -69.95 -46.41 65.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -58.0 -45.05 87.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.778 HG22 HD13 ' A' ' 202' ' ' LEU . 89.7 t -65.91 -46.4 88.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -65.03 -37.51 87.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 16.6 t-20 -88.01 6.29 36.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.51 157.97 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -47.44 174.03 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.384 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.97 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.473 1.775 . . . . 0.0 111.042 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.23 -54.89 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.318 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.7 t -54.46 -37.83 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.655 1.222 . . . . 0.0 108.32 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -58.71 -44.24 90.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 79.4 m -65.0 -41.65 95.2 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.352 1.032 . . . . 0.0 110.437 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.99 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -38.9 83.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.778 HD13 HG22 ' A' ' 191' ' ' VAL . 5.9 mt -72.04 -33.18 67.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -66.98 -35.66 80.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -32.75 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.899 HD23 ' HB1' ' A' ' 209' ' ' ALA . 0.2 OUTLIER -53.94 -85.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.3 160.3 22.22 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.383 1.052 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 56.69 4.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.75 54.66 0.03 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.899 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -79.59 160.24 26.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -79.96 155.04 27.86 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 210' ' ' THR . 19.7 mt-10 -61.5 -35.07 76.65 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.424 1.078 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.792 ' HG3' HD21 ' A' ' 205' ' ' LEU . 5.2 tp10 -73.63 -38.21 65.11 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 68.0 mtm -65.45 -48.16 73.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.605 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -31.12 68.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 215' ' ' MET . 1.2 m -67.43 -39.12 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.99 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.23 -41.09 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.438 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.6 t -61.71 -45.35 94.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -27.13 68.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.21 -25.41 68.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER -47.54 140.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 223' ' ' GLY . . . 69.78 166.68 5.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.081 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 222' ' ' GLY . . . -37.2 97.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -172.45 119.39 0.77 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -164.22 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.574 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.3 OUTLIER -41.03 134.59 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.54 112.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 179.61 169.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 72.5 t -122.36 148.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.418 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.537 0.208 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.8 ' O ' HG21 ' A' ' 171' ' ' THR . 4.7 t -117.94 110.8 18.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.727 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.0 mm -88.58 -20.69 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -30.72 71.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.97 -19.78 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -81.59 106.84 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.506 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 14.0 ttt-85 -148.3 151.58 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.2 pt20 -83.73 89.2 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -57.68 176.97 1.47 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -21.67 47.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -85.58 131.62 47.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.84 21.73 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 68.8 t80 -70.35 -30.44 67.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -45.67 92.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.96 -33.34 75.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 7.0 t80 -68.06 -41.42 82.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.3 t -67.49 -43.73 87.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -57.8 -44.61 86.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -64.07 -43.98 93.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.4 t80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.337 1.023 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.807 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -74.5 -21.84 59.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -73.14 -44.59 59.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.8 HG21 ' O ' ' A' ' 149' ' ' SER . 87.8 m -73.98 -35.27 64.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.07 -44.77 83.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -26.31 60.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.55 17.36 24.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.374 1.046 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.7 tp10 -151.27 44.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.289 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 175' ' ' GLU . 4.9 tp-100 -37.56 156.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.762 ' HB1' ' HG3' ' A' ' 182' ' ' LYS . . . -40.08 158.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 173.0 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -62.76 -38.06 89.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -108.38 24.57 12.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.56 -43.22 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.762 ' HG3' ' HB1' ' A' ' 177' ' ' ALA . 0.0 OUTLIER -54.55 -33.69 60.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -57.39 -32.09 66.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -91.98 118.94 31.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.063 . . . . 0.0 109.369 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.906 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -67.01 122.74 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.7 m -44.0 -60.71 1.73 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.449 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -39.9 60.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.906 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -64.07 -30.11 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.368 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.8 mt -70.73 -46.89 62.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.709 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -59.06 -43.36 91.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.409 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 1.02 HG22 HD23 ' A' ' 202' ' ' LEU . 88.0 t -67.82 -46.85 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -64.85 -37.95 89.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 27.8 t-20 -87.75 6.59 34.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -98.7 156.12 16.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.43 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -50.75 174.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.95 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.576 1.829 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 201' ' ' ILE . 2.2 m-20 -50.9 -54.53 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.1 t -54.3 -37.89 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 108.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.59 -46.18 89.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.0 m -63.77 -41.35 97.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 1.011 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -38.31 82.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.02 HD23 HG22 ' A' ' 191' ' ' VAL . 4.7 mp -71.88 -32.13 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.606 1.191 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -68.37 -36.88 79.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.43 -28.21 41.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -63.97 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.88 156.18 15.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 142.78 53.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.594 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.52 161.22 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.9 OUTLIER -68.77 149.98 48.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.147 . . . . 0.0 110.364 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.404 HD21 ' OH ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -51.45 -45.23 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 210' ' ' THR . 2.9 tm-20 -64.68 -34.49 78.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.512 ' CG ' HD21 ' A' ' 205' ' ' LEU . 2.1 tp10 -68.08 -42.88 79.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.5 mtp -63.25 -43.56 97.65 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.367 1.042 . . . . 0.0 111.021 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.614 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ttm -68.79 -33.39 73.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.48 -39.09 85.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.011 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -71.98 -37.66 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.063 . . . . 0.0 109.33 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.467 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.8 t -66.84 -43.63 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 108.357 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -61.81 -26.9 68.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.59 -23.06 71.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p -46.7 139.91 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.777 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 59.42 165.81 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 160.11 -57.08 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 226' ' ' HIS . 17.9 Cg_endo -74.98 167.96 25.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -46.92 93.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 224' ' ' PRO . 2.4 t60 -173.68 124.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 0.804 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.9 OUTLIER -123.33 159.48 28.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.62 133.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 179.62 161.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.9 p -96.25 142.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.327 -0.401 0 O-C-N 124.446 1.091 . . . . 0.0 109.193 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.764 ' O ' HG21 ' A' ' 171' ' ' THR . 5.3 t -101.53 72.22 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.623 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.6 mm -79.59 -18.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.9 -30.12 70.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.498 ' C ' HD12 ' A' ' 153' ' ' ILE . 40.2 t0 -72.17 -12.67 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.854 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -89.12 96.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 169.28 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.563 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -79.35 92.25 5.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.238 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -54.95 170.2 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.03 -74.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -17.76 61.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.53 129.53 87.02 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.158 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.32 16.57 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 46.8 t80 -68.33 -33.82 74.99 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.418 1.074 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt85 -59.73 -45.8 91.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.58 -37.03 84.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.077 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 11.7 t80 -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.428 HG21 HD21 ' A' ' 211' ' ' LEU . 3.2 t -67.0 -43.14 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -57.65 -42.18 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.854 ' CA ' HG21 ' A' ' 153' ' ' ILE . 46.7 t80 -58.44 -47.55 83.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.758 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.6 m-85 -76.12 -20.97 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -72.71 -44.62 61.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.764 HG21 ' O ' ' A' ' 149' ' ' SER . 68.1 m -74.43 -38.19 63.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.54 -50.27 73.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.541 ' N ' HD12 ' A' ' 172' ' ' LEU . 43.0 mtp85 -68.98 -7.97 40.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -78.75 -14.5 59.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 0.2 OUTLIER 174.33 53.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -37.85 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.377 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.47 152.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 181' ' ' VAL . 1.3 m -169.44 154.34 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -72.23 -12.88 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.82 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 25.6 mt-10 -139.16 53.6 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 178' ' ' SER . 92.7 t -65.29 -47.11 88.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -80.98 -34.09 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -82.47 4.45 24.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 180' ' ' GLU . . . -159.59 109.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -81.9 147.14 29.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 186' ' ' THR . 66.0 p -42.99 -67.55 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.2 pm0 -47.49 -30.3 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 110.213 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.411 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -70.39 -40.04 74.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.658 ' CD1' ' HB1' ' A' ' 184' ' ' ALA . 1.4 mp -68.61 -46.51 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -57.73 -44.66 86.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.887 HG22 HD13 ' A' ' 202' ' ' LEU . 44.5 t -65.69 -45.94 90.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 15.7 t-20 -87.73 4.72 43.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.46 157.63 16.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.424 1.078 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -48.22 175.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.15 -54.57 24.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 202' ' ' LEU . 34.5 t -55.44 -37.05 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.355 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -58.4 -46.46 86.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 65.7 m -63.11 -43.06 99.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 1.052 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -63.82 -37.8 80.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.887 HD13 HG22 ' A' ' 191' ' ' VAL . 7.6 mt -72.1 -32.75 67.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -66.1 -36.59 83.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.32 -33.63 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.942 HD11 ' HB2' ' A' ' 217' ' ' ALA . 1.5 mp -46.76 -87.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.06 157.82 18.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.97 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.559 1.821 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 143.78 47.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.539 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.17 157.81 26.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 2.3 t -83.45 163.01 20.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 110.46 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.668 ' C ' HD13 ' A' ' 211' ' ' LEU . 1.9 tm? -53.63 -50.31 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -34.62 52.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.465 ' C ' HD21 ' A' ' 205' ' ' LEU . 2.2 tp10 -70.71 -42.68 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.469 ' HE2' HD23 ' A' ' 190' ' ' LEU . 26.1 mtp -64.37 -43.43 94.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 10.1 ttt -69.17 -35.37 76.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.92 -38.54 86.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.457 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.052 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -36.74 68.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.624 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.6 t -67.93 -37.85 82.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -29.78 70.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -72.69 -26.24 71.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p -48.46 149.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.99 -166.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 101.58 -101.5 2.22 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -148.21 176.54 26.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.67 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 109.619 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 228' ' ' ALA . 2.4 tttm -123.18 116.93 24.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 227' ' ' LYS . . . -40.6 159.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -45.08 169.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 110.251 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 14.3 p -80.26 141.16 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.641 ' O ' HG21 ' A' ' 171' ' ' THR . 8.0 t -101.43 172.58 6.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.546 ' HA ' HD13 ' A' ' 153' ' ' ILE . 8.4 mm -77.2 -18.02 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.23 -32.99 74.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.431 ' C ' HD12 ' A' ' 153' ' ' ILE . 19.2 t0 -68.47 -15.54 63.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.853 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.96 97.2 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.47 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.0 ptt180 -125.14 170.02 11.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.585 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tt0 -111.18 105.51 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.207 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.77 175.15 52.18 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -17.41 56.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 61.2 tt0 -75.4 133.69 74.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.405 1.066 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.1 Cg_endo -75.0 154.82 42.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 34.7 t80 -69.48 -30.01 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -64.0 -45.78 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.2 t80 -66.29 -43.02 87.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.601 1.188 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -66.79 -42.48 89.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -57.95 -42.99 86.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -44.72 85.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.853 ' CA ' HG21 ' A' ' 153' ' ' ILE . 41.3 t80 -58.31 -47.99 81.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.781 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.6 -20.58 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -72.66 -44.8 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.641 HG21 ' O ' ' A' ' 149' ' ' SER . 95.4 m -74.78 -37.75 62.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.787 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.51 -45.15 85.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.78 4.8 20.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.175 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -96.8 -15.56 21.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.3 OUTLIER -177.21 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 48.9 tt0 -37.12 101.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . 179.99 145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.361 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.612 ' CB ' HG23 ' A' ' 181' ' ' VAL . 3.0 t -165.59 167.56 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.969 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -15.03 17.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -177.87 72.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.245 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.612 HG23 ' CB ' ' A' ' 178' ' ' SER . 36.7 t -67.31 -42.39 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -58.14 -57.6 12.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.52 -31.6 71.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.379 1.049 . . . . 0.0 109.247 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.05 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.593 1.183 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.888 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -123.8 126.35 46.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -45.79 12.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.598 1.186 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.799 ' OE2' ' HB1' ' A' ' 185' ' ' ALA . 18.4 pm0 -67.03 -28.63 68.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.57 1.169 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.888 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -71.21 -41.36 70.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.389 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.4 OUTLIER -73.47 -45.79 52.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.645 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.7 OUTLIER -61.13 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 187' ' ' GLU . 46.5 t -69.74 -46.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -37.49 87.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' LEU . 12.0 t-20 -91.25 15.3 12.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.82 164.72 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.436 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -52.7 174.6 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.02 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.85 -54.25 25.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.8 t -54.45 -37.74 65.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 108.394 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -58.59 -46.59 86.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 99.5 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.447 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.963 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.01 -35.36 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.232 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 202' ' ' LEU . 0.0 OUTLIER -69.6 -34.3 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -39.12 84.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.596 1.185 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.44 -25.11 45.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.844 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -65.6 -84.5 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.21 149.74 7.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 57.32 4.5 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.463 1.77 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.97 44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.082 . . . . 0.0 111.054 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.58 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.39 162.8 24.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 9.3 t -88.83 161.59 16.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.2 OUTLIER -54.31 -33.67 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -39.88 94.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.571 ' CG ' HD21 ' A' ' 205' ' ' LEU . 1.7 tp10 -75.35 -37.14 60.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.7 mtm -66.13 -46.21 78.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -72.25 -32.58 66.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.319 1.012 . . . . 0.0 110.985 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . 0.444 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -67.26 -38.96 85.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.963 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.32 -42.37 65.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.582 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.1 t -58.49 -41.73 85.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.82 -25.37 67.46 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.38 1.05 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.56 -29.88 57.24 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER -47.86 136.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 63.46 166.02 0.77 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 109.52 -85.52 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 69.74 5.53 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.421 1.748 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 112.83 66.19 0.49 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -40.8 111.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 0.772 . . . . 0.0 109.547 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 16.5 mttt -132.83 103.0 5.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.61 77.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.259 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -39.17 109.33 0.1 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.501 1.125 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 14.2 p -47.07 148.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.697 ' C ' HG21 ' A' ' 171' ' ' THR . 8.2 t -95.61 176.99 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.053 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.773 HD13 ' CG2' ' A' ' 171' ' ' THR . 4.1 mm -82.41 -18.49 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.672 1.232 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.04 -36.73 84.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.47 -21.53 66.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.827 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -81.54 99.73 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.406 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 2.1 ptt180 -129.34 167.82 17.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.572 1.17 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.576 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.8 tt0 -113.33 100.03 8.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -68.55 179.42 21.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -64.26 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -19.23 59.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.409 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 30.0 tt0 -64.03 137.47 97.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 159' ' ' GLU . 18.1 Cg_endo -75.05 142.09 27.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' A' ' 218' ' ' CYS . 18.5 t80 -66.76 -23.44 66.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.92 80.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.462 ' OD1' ' N ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -65.71 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 16.5 t80 -66.39 -43.17 86.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 211' ' ' LEU . 3.1 t -67.39 -43.15 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.38 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 170' ' ' LYS . 1.2 m-20 -59.37 -42.09 90.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -67.86 -44.89 76.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.827 ' CA ' HG21 ' A' ' 153' ' ' ILE . 43.5 t80 -58.68 -47.61 83.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.393 1.058 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.734 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -76.22 -21.1 56.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 166' ' ' ASP . 18.1 mtpt -71.99 -44.59 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.773 ' CG2' HD13 ' A' ' 150' ' ' ILE . 27.6 m -74.93 -39.01 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.368 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.38 -50.25 73.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.529 ' N ' HD12 ' A' ' 172' ' ' LEU . 3.4 mtm180 -66.34 -9.74 36.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.237 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -84.97 -7.21 59.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.0 OUTLIER -177.49 48.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 2.7 pt20 -37.5 114.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.236 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.48 142.19 0.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.501 ' CB ' HG23 ' A' ' 181' ' ' VAL . 0.1 OUTLIER -173.56 150.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.902 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.54 -12.73 61.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 184' ' ' ALA . 2.4 mt-10 -130.66 48.89 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.201 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.501 HG23 ' CB ' ' A' ' 178' ' ' SER . 14.5 t -75.15 -38.63 42.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.68 -41.61 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.378 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . 0.535 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 0.5 OUTLIER -99.73 -12.64 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 183' ' ' ASN . . . 73.37 110.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.381 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.563 ' O ' HG22 ' A' ' 188' ' ' THR . . . -106.56 20.95 18.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.733 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 110.408 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -43.17 27.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 185' ' ' ALA . 8.6 t -65.76 -36.77 84.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.8 OUTLIER -72.9 -46.94 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.227 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -59.76 -43.5 94.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 1.081 HG22 HD13 ' A' ' 202' ' ' LEU . 39.6 t -68.65 -47.14 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -64.3 -38.23 90.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 19.0 t-20 -88.16 11.51 16.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.415 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -101.6 156.63 17.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.461 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.2 OUTLIER -48.41 175.56 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.239 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.96 -51.65 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.793 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -51.06 -55.16 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 21.3 t -54.91 -38.04 67.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 108.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -59.03 -45.26 91.18 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 95.3 m -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.953 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.77 -37.74 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.081 HD13 HG22 ' A' ' 191' ' ' VAL . 10.4 mt -69.41 -34.84 75.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -36.3 79.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.41 -25.79 46.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.811 HD23 ' HB1' ' A' ' 209' ' ' ALA . 0.3 OUTLIER -58.24 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 176.31 154.7 11.98 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 56.66 4.37 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.525 1.803 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.42 45.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.811 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -80.42 159.22 25.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 0.732 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.3 t -93.2 160.01 15.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 165' ' ' VAL . 0.6 OUTLIER -52.22 -37.29 54.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.57 -46.73 89.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.624 ' HG3' HD21 ' A' ' 205' ' ' LEU . 2.1 tp10 -63.92 -36.63 84.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 4.4 mtt -63.05 -43.63 98.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . . . . . . . . . 1.2 mtm -68.69 -35.39 77.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -37.5 85.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.399 1.062 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.953 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.16 -38.53 69.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.588 ' O ' HG12 ' A' ' 221' ' ' VAL . 10.7 t -63.87 -41.26 97.8 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.504 1.127 . . . . 0.0 108.363 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.96 -28.38 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.75 -27.74 64.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -48.16 123.69 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.561 0.801 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 71.64 166.09 7.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 103.22 -142.31 15.47 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 127.92 11.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 99.99 -83.73 0.57 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.451 1.095 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -89.32 101.22 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 0.73 . . . . 0.0 109.632 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 228' ' ' ALA . 54.2 tttt -141.24 -62.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.17 113.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.7 148.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.25 135.85 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.252 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 148' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.695 ' C ' HG21 ' A' ' 171' ' ' THR . 33.2 t -98.11 -174.69 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.033 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.635 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.5 mm -79.6 -26.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -32.45 71.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.411 ' C ' HD12 ' A' ' 153' ' ' ILE . 1.0 OUTLIER -67.33 -19.4 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.404 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.82 99.33 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.529 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -125.52 168.59 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 -103.81 102.41 12.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.561 1.163 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -73.49 167.54 54.29 Favored Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.515 1.134 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -55.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.427 1.751 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -75.01 -21.47 59.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.122 . . . . 0.0 109.359 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -78.6 135.8 60.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.06 156.44 42.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.571 1.827 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 58.6 t80 -67.78 -30.52 69.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -61.45 -45.78 92.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.231 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.42 -33.49 75.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 11.0 t80 -67.64 -41.16 84.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 111.061 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.56 -43.03 87.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.47 -45.88 84.32 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -43.79 98.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.3 t80 -58.52 -47.19 84.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.69 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.76 -20.13 59.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -71.71 -45.32 62.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.735 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 76.4 m -75.41 -39.36 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.809 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -48.18 79.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.412 1.07 . . . . 0.0 109.209 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.467 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.61 -11.63 26.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -71.5 -16.56 62.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 0.2 OUTLIER 170.4 54.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -38.61 128.93 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . 179.92 139.74 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 181' ' ' VAL . 8.7 t -178.61 156.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -72.42 -12.28 61.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.93 ' HB3' ' HB2' ' A' ' 185' ' ' ALA . 0.2 OUTLIER -118.34 43.1 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 178' ' ' SER . 67.5 t -74.77 -37.26 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -53.11 -44.85 67.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.214 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 39.0 m-20 -99.17 -9.44 23.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 183' ' ' ASN . . . 71.81 106.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.385 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.93 ' HB2' ' HB3' ' A' ' 180' ' ' GLU . . . -95.09 21.05 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.593 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 2.6 p -70.86 -39.48 72.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 188' ' ' THR . 15.6 pm0 -75.84 -32.61 59.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.6 OUTLIER -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.34 -46.95 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.471 ' N ' ' CE2' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -57.3 -44.28 83.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.232 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' A' ' 194' ' ' ALA . 36.6 t -70.16 -47.62 66.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -60.23 -38.09 82.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 43.3 t-20 -89.76 15.53 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -91.65 165.58 13.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.409 1.068 . . . . 0.0 109.399 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.481 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -54.13 176.93 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -74.99 -52.83 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.3 OUTLIER -54.2 -50.12 67.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 35.3 t -55.02 -36.86 65.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -57.62 -45.8 84.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.3 m -63.4 -42.15 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.968 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.88 -37.09 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 202' ' ' LEU . 0.3 OUTLIER -72.39 -34.36 67.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.41 -37.8 88.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -80.08 -28.38 39.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.739 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -66.68 -83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 170.62 155.01 9.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 57.63 4.69 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 145.63 54.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.739 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.97 160.01 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.87 155.96 40.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -50.37 64.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -35.44 77.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.652 ' HG3' HD21 ' A' ' 205' ' ' LEU . 10.1 tp10 -68.23 -44.88 74.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.213 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 19.3 mtm -63.11 -41.46 99.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.59 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.25 -33.37 71.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.962 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -39.3 85.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.21 -39.03 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.442 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.7 t -64.41 -45.43 87.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.76 -26.23 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.78 -22.54 71.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 197' ' ' ASP . 1.0 OUTLIER -47.93 117.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.421 0.718 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 60.91 165.78 0.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -172.22 -83.25 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 110.34 3.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 131.39 60.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -98.94 77.25 2.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -73.98 64.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.403 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.74 136.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.408 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.65 153.25 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.21 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.09 146.83 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.6 0.238 . . . . 0.0 110.447 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.573 ' C ' HG21 ' A' ' 171' ' ' THR . 3.6 t -101.55 177.67 4.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.345 1.028 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.836 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.1 mm -79.13 -19.32 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.89 -37.82 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.98 -21.21 65.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.225 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.845 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -82.79 92.56 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.08 169.97 14.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.69 92.67 4.79 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.488 1.118 . . . . 0.0 110.22 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -57.77 166.59 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -17.92 60.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -76.53 131.83 73.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 170.85 19.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.575 1.829 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 56.2 t80 -70.34 -27.17 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -66.59 -46.58 75.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.57 -40.27 92.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.433 ' OH ' ' O ' ' A' ' 190' ' ' LEU . 5.1 t80 -62.8 -43.18 99.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.693 HG11 HD11 ' A' ' 211' ' ' LEU . 4.1 t -63.89 -41.85 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -42.81 83.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.24 -42.87 96.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.06 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.845 ' CA ' HG21 ' A' ' 153' ' ' ILE . 52.9 t80 -58.2 -47.62 82.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.941 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.839 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -74.45 -21.52 59.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -72.92 -44.63 61.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.836 ' CG2' HD13 ' A' ' 150' ' ' ILE . 45.4 m -74.62 -35.85 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.579 1.175 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -56.98 -45.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -62.86 -13.9 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -131.16 29.06 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.404 1.065 . . . . 0.0 109.364 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.42 60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.234 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 177' ' ' ALA . 1.0 OUTLIER 179.55 89.64 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.586 1.179 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . -179.87 79.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.37 170.34 21.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -70.27 -26.03 63.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.381 1.051 . . . . 0.0 110.227 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -97.18 24.43 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.405 ' CG1' ' HG2' ' A' ' 176' ' ' GLN . 96.8 t -113.74 -40.12 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -55.54 -32.94 63.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.619 1.199 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.86 -31.93 71.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.581 1.175 . . . . 0.0 109.352 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.05 90.85 5.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.772 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -50.43 101.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 185' ' ' ALA . 29.9 m -38.8 -57.73 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -51.55 -40.14 59.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.203 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.772 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -65.11 -29.8 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.39 -47.36 61.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.651 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -58.7 -43.52 90.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.584 1.178 . . . . 0.0 109.34 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 202' ' ' LEU . 55.1 t -67.53 -46.81 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.89 -40.3 96.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.72 7.97 18.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -100.81 159.56 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.3 OUTLIER -46.34 171.41 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -53.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.549 1.815 . . . . 0.0 110.958 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 3.7 m-20 -52.58 -49.49 64.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.5 t -54.0 -37.05 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 108.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -58.1 -43.92 87.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.412 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.5 m -65.65 -41.57 92.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.959 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.95 -38.93 83.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 191' ' ' VAL . 4.3 mt -69.37 -33.73 73.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.48 -34.93 76.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.08 -28.75 43.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -58.73 -87.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.27 152.43 9.95 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.591 1.182 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 56.93 4.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.408 1.741 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.56 44.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.24 161.53 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 15.0 t -89.98 152.67 21.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.693 HD11 HG11 ' A' ' 165' ' ' VAL . 8.5 tt -45.81 -36.66 5.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.371 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -44.36 97.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.453 ' HG2' ' CD2' ' A' ' 205' ' ' LEU . 0.6 OUTLIER -67.68 -42.11 82.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 2.7 mtt -63.14 -42.14 99.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.586 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.4 ttt -69.31 -35.11 75.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -37.75 83.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.959 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.51 -37.92 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.608 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.5 t -63.54 -41.97 98.43 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 108.333 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -24.52 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.45 -32.98 45.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.422 1.076 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER -47.17 148.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 109.235 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -59.71 -165.74 0.18 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -169.03 156.87 28.53 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.9 32.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.808 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -58.41 -58.96 11.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -46.13 142.68 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 0.74 . . . . 0.0 109.574 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -169.38 111.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.21 -63.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 179.71 148.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 76.0 t -116.93 139.0 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.552 ' O ' HG21 ' A' ' 171' ' ' THR . 0.3 OUTLIER -101.04 165.88 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.0 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.722 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.8 mm -77.96 -16.66 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 pp -67.0 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.401 ' C ' HD12 ' A' ' 153' ' ' ILE . 2.5 t70 -70.01 -15.42 63.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.832 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.23 90.19 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.455 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 4.1 ptt85 -117.58 163.64 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 -105.59 100.15 9.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -72.35 175.3 43.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -75.22 -20.74 59.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -75.2 129.77 81.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 157.74 42.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD1' ' SG ' ' A' ' 218' ' ' CYS . 20.2 t80 -67.4 -28.79 68.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -65.12 -46.79 79.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -67.6 -34.43 76.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 17.7 t80 -65.76 -42.03 91.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 8.6 t -68.86 -41.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.91 -41.49 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -44.76 78.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.832 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.2 t80 -58.82 -47.26 85.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.66 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -76.19 -21.33 56.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -72.57 -44.56 61.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.722 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.4 m -73.67 -38.59 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.685 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.82 -45.21 86.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.61 1.22 34.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -87.46 -21.39 25.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER -172.82 39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.478 ' HB3' HD12 ' A' ' 172' ' ' LEU . 6.9 pt20 -38.07 96.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.396 1.06 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.95 124.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.4 ' CB ' HG23 ' A' ' 181' ' ' VAL . 0.2 OUTLIER 177.02 143.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -15.19 17.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.965 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 19.2 pt-20 -108.67 31.16 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.4 HG23 ' CB ' ' A' ' 178' ' ' SER . 3.2 t -85.53 -66.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -45.03 19.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -57.48 -29.41 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.965 ' HB3' ' O ' ' A' ' 180' ' ' GLU . . . -108.29 157.34 18.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.806 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -102.75 124.57 48.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.402 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.449 ' HG1' ' HE1' ' A' ' 168' ' ' PHE . 0.0 OUTLIER -45.25 -45.22 11.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.407 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.8 tp10 -64.31 -30.59 71.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.806 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -70.46 -39.73 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.445 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.25 -46.3 67.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.359 1.037 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.5 tp -56.89 -46.5 81.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.629 HG22 HD13 ' A' ' 202' ' ' LEU . 63.1 t -66.09 -45.13 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -63.53 -37.22 86.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 29.8 t-20 -90.28 6.01 44.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -94.54 156.29 16.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.72 169.73 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.1 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 201' ' ' ILE . 5.0 m-20 -51.13 -49.23 61.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.6 t -54.24 -37.21 64.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 108.247 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -57.7 -44.79 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.8 m -64.36 -40.92 96.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.89 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -65.11 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.629 HD13 HG22 ' A' ' 191' ' ' VAL . 8.1 mt -72.39 -27.8 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -70.21 -44.82 67.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.57 -36.7 60.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.88 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -56.82 -72.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.774 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 177.41 141.74 4.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.29 4.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.435 1.756 . . . . 0.0 111.021 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 130.34 46.25 0.16 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.88 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -75.73 167.65 21.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 0.713 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.63 174.34 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.54 -33.93 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 205' ' ' LEU . 0.8 OUTLIER -71.92 -42.88 66.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.403 ' SD ' ' CD ' ' A' ' 187' ' ' GLU . 2.3 mmt -63.73 -42.19 97.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.523 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 19.4 mtp -72.79 -32.61 65.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 -40.55 94.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.89 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -46.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.589 ' SG ' ' CD1' ' A' ' 161' ' ' PHE . 4.4 t -57.58 -36.16 71.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -25.81 68.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.73 -24.51 64.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p -45.53 127.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.215 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 66.78 165.67 2.24 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 101.65 -101.51 2.22 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 85.42 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.537 1.809 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 154.86 -136.5 5.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -135.99 173.69 11.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.521 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -168.93 153.35 5.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.605 1.191 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.74 96.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.611 1.195 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.72 96.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 11.6 p -78.47 138.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.19 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 171' ' ' THR . 1.3 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.741 ' C ' HG21 ' A' ' 171' ' ' THR . 4.8 t -94.38 178.01 5.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' A' ' 171' ' ' THR . 8.1 mm -73.67 -20.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.71 -38.54 90.86 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.88 -24.77 66.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.619 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.1 mp -77.09 103.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 166.99 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.231 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 1.6 mt-30 -79.58 85.84 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -55.94 172.41 1.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -67.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -16.63 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -79.58 119.55 77.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.088 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.57 8.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.1 t80 -66.24 -34.86 78.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -59.81 -45.44 92.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.83 -33.48 73.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.471 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 16.9 t80 -68.84 -38.16 79.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -70.78 -45.04 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.55 -43.63 84.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -44.51 90.24 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.59 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.4 t80 -58.33 -47.44 83.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.675 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -74.68 -21.3 59.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -72.74 -44.78 61.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.741 HG21 ' C ' ' A' ' 149' ' ' SER . 47.8 m -74.39 -37.24 63.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.815 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.44 -46.73 83.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -74.07 -6.08 45.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.611 1.194 . . . . 0.0 110.282 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -80.09 -16.03 55.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.2 tt0 174.45 54.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.0 OUTLIER -38.0 97.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.93 152.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.62 ' HB3' HG23 ' A' ' 181' ' ' VAL . 7.9 t -166.28 145.27 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -66.62 -13.14 60.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.127 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.675 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 22.2 mt-10 -139.19 52.83 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 178' ' ' SER . 3.2 t -65.48 -47.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -77.41 -37.44 51.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -2.91 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 189' ' ' LEU . . . -157.38 105.87 2.11 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.4 1.063 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -76.12 170.76 15.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -59.29 -71.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.481 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.3 pt-20 -47.53 -29.08 2.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.189 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -70.93 -38.18 72.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.16 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 184' ' ' ALA . 0.2 OUTLIER -71.77 -46.3 58.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.21 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.57 -44.0 93.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 187' ' ' GLU . 78.2 t -67.33 -46.48 83.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.53 -38.25 90.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.368 1.042 . . . . 0.0 110.245 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 28.8 t-20 -86.4 7.71 24.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.34 158.02 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.402 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -47.18 172.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.088 . . . . 0.0 109.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.03 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 21.0 m-20 -52.61 -49.29 65.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.0 t -54.23 -37.16 64.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 108.365 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -58.17 -46.51 85.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 64.6 m -62.74 -41.01 98.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 1.014 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -66.21 -36.29 77.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.469 1.105 . . . . 0.0 109.369 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.752 HD23 HD22 ' A' ' 205' ' ' LEU . 0.5 OUTLIER -72.05 -27.64 62.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -72.54 -47.9 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.99 -25.66 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.888 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -66.89 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.678 ' H ' HD23 ' A' ' 205' ' ' LEU . . . 179.84 141.02 4.42 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.581 1.176 . . . . 0.0 111.064 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 131.78 49.34 0.1 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.888 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.38 167.84 19.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 13.1 t -75.95 159.0 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.36 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.59 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.7 OUTLIER -47.08 -43.47 20.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.75 -44.01 85.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.71 ' HB3' ' HB1' ' A' ' 209' ' ' ALA . 0.8 OUTLIER -67.6 -40.08 84.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 6.7 mtt -62.92 -42.83 99.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.576 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.76 -31.68 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 110.962 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.07 -40.04 90.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.014 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.11 -46.27 57.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.431 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.3 t -55.2 -42.52 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.335 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.8 -24.67 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.03 -22.93 64.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p -45.32 149.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 63.2 166.1 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -149.85 -77.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.03 19.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.465 1.771 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -46.93 165.4 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.08 126.99 8.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.588 0.816 . . . . 0.0 109.633 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.9 OUTLIER -43.42 153.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.6 130.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.19 150.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.6 p -102.69 140.86 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.329 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.569 ' C ' HG21 ' A' ' 171' ' ' THR . 8.5 t -100.25 175.49 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.768 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -78.92 -18.49 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.77 -34.18 77.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.439 ' C ' HD12 ' A' ' 153' ' ' ILE . 4.4 t70 -67.1 -15.62 63.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.829 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -86.9 78.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.5 168.44 13.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.01 94.5 4.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.77 -170.03 3.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -66.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -89.91 5.11 47.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -88.5 113.1 54.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.201 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -178.95 4.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 111.061 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 15.2 t80 -70.55 -32.49 69.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -60.71 -45.14 95.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.77 -33.31 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.449 ' HE1' HD12 ' A' ' 190' ' ' LEU . 3.5 t80 -67.78 -41.96 82.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.73 -45.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.212 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -58.84 -43.79 90.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -67.49 -44.06 79.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.829 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.6 t80 -58.35 -48.12 81.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.399 1.062 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.854 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.62 -21.95 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -73.15 -44.36 60.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.768 ' CG2' HD13 ' A' ' 150' ' ' ILE . 96.5 m -74.12 -36.48 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.854 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -56.95 -46.83 81.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.412 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 172' ' ' LEU . 15.0 mtt85 -77.29 1.06 19.84 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -110.15 0.63 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 179.96 58.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.348 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.412 ' OE1' HG22 ' A' ' 181' ' ' VAL . 0.5 OUTLIER 179.45 112.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.45 112.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.61 171.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.35 -13.8 22.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.172 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -90.77 24.44 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.412 HG22 ' OE1' ' A' ' 176' ' ' GLN . 4.6 t -89.11 -45.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -43.56 75.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -63.03 -31.23 72.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -78.93 111.66 15.34 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.487 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -79.2 86.52 4.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.228 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.406 ' O ' ' CZ ' ' A' ' 168' ' ' PHE . 0.4 OUTLIER -52.68 -27.62 18.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.466 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -33.81 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.487 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -70.56 -35.95 73.37 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.534 1.146 . . . . 0.0 110.419 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.8 mt -74.09 -46.86 40.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.784 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.62 -41.98 82.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.981 HG22 HD13 ' A' ' 202' ' ' LEU . 24.6 t -73.06 -47.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.552 1.157 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.28 -46.66 89.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 2.0 t-20 -77.14 0.42 21.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.16 163.13 13.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -45.02 168.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.065 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -52.93 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.406 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.7 OUTLIER -51.37 -51.0 58.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.44 ' O ' HD12 ' A' ' 202' ' ' LEU . 12.0 t -54.28 -37.31 64.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -43.75 88.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.383 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.6 m -65.08 -41.61 94.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.951 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.78 -40.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.981 HD13 HG22 ' A' ' 191' ' ' VAL . 3.9 mt -69.56 -31.47 69.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -39.64 87.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.248 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.14 -31.8 62.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.8 OUTLIER -52.36 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 174.44 155.4 12.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.689 1.243 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 57.81 4.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 45.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.647 1.217 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.66 ' HB1' HD23 ' A' ' 205' ' ' LEU . . . -79.54 158.21 27.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -91.65 152.68 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.43 HD21 ' CZ ' ' A' ' 169' ' ' TYR . 2.9 mp -44.42 -37.0 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -61.54 -43.76 98.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.526 ' HG3' HD21 ' A' ' 205' ' ' LEU . 4.2 tp10 -68.8 -42.19 77.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.074 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.465 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 2.7 mtt -62.66 -43.01 99.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.563 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.1 OUTLIER -68.74 -35.58 77.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -38.34 86.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.951 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.29 -36.4 68.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.501 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -66.23 -41.99 89.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.88 -25.6 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.58 -28.25 59.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.6 OUTLIER -46.9 149.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.737 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.47 -166.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 104.33 -97.65 1.43 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 133.83 17.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.592 1.838 . . . . 0.0 111.044 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 48.58 -170.7 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.579 1.174 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -84.57 162.52 19.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.653 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 52.1 pttt -116.58 -39.5 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.58 112.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.27 111.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.8 p -45.2 146.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 148' ' ' THR . 1.1 t . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.587 0.232 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.504 ' C ' HG21 ' A' ' 171' ' ' THR . 9.3 t -98.21 169.62 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.742 HD13 ' HB ' ' A' ' 171' ' ' THR . 2.6 mm -73.09 -19.23 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.6 1.187 . . . . 0.0 109.227 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.61 -36.85 85.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.209 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -63.7 -21.71 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.633 1.208 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.3 mp -80.94 100.53 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.42 164.23 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.615 ' OE1' ' HB1' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -73.01 90.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.65 -179.89 3.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.429 1.752 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -77.05 -14.62 59.8 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.381 1.051 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -78.58 121.5 83.71 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 176.53 9.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.9 t80 -67.48 -36.02 80.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -60.51 -45.55 93.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.64 -35.62 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.72 -40.75 84.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.59 -44.11 86.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -57.43 -44.83 85.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -43.92 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 51.2 t80 -58.14 -47.44 83.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.814 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.0 m-85 -73.93 -21.31 60.09 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -72.4 -45.02 61.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.742 ' HB ' HD13 ' A' ' 150' ' ' ILE . 75.7 m -74.43 -36.42 63.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.34 -48.54 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.475 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -79.83 3.49 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -89.69 -20.92 23.05 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.352 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.8 OUTLIER -170.65 37.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.5 OUTLIER -38.5 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.79 160.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.773 ' HB2' HG22 ' A' ' 181' ' ' VAL . 0.2 OUTLIER -168.4 163.2 12.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.22 -14.35 62.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.344 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -164.5 66.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.773 HG22 ' HB2' ' A' ' 178' ' ' SER . 52.4 t -60.14 -37.74 74.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -54.27 -52.3 61.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.72 -31.42 68.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 181' ' ' VAL . . . -77.15 157.95 30.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.223 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.673 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -138.04 132.62 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.774 HG23 ' HE1' ' A' ' 168' ' ' PHE . 1.4 m -62.22 -69.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.4 -39.46 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.673 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -66.02 -35.41 80.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 186' ' ' THR . 4.1 mt -67.54 -46.93 71.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.6 tp -58.02 -42.8 86.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.503 HG22 HD22 ' A' ' 202' ' ' LEU . 38.3 t -65.97 -48.98 79.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.049 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.93 92.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 189' ' ' LEU . 17.5 t-20 -88.14 12.92 12.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.398 1.061 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -108.03 148.46 29.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.2 OUTLIER -42.18 164.76 0.1 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.345 1.028 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.06 -48.72 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.567 1.824 . . . . 0.0 110.986 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -45.98 45.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 44.3 t -58.41 -36.64 73.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 108.292 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.15 -47.03 84.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.379 1.049 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.9 m -61.96 -42.23 98.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 110.451 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.968 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -41.94 94.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.387 1.054 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.599 HD12 HD22 ' A' ' 205' ' ' LEU . 4.2 tp -69.14 -25.19 64.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -71.17 -47.62 56.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.354 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.89 -19.44 58.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.388 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.89 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.2 OUTLIER -84.94 -72.55 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.89 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 179.85 131.62 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 56.47 4.26 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.498 1.788 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.94 44.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.824 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.48 169.25 17.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.471 0.748 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.85 159.97 8.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -49.81 65.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.93 -31.75 68.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.836 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.9 OUTLIER -67.94 -45.29 74.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 53.3 mtm -63.61 -43.82 95.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.566 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.4 ttp -68.48 -31.3 70.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.06 -40.59 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -70.35 -39.37 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.617 ' O ' HG12 ' A' ' 221' ' ' VAL . 9.1 t -62.54 -43.7 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 108.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -25.34 67.25 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.28 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.57 -25.97 62.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.4 p -48.1 150.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -54.95 -165.76 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 80.33 101.6 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 162.09 37.88 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -109.77 -137.95 7.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.37 176.34 9.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.58 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.1 OUTLIER -129.48 172.14 11.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.66 164.99 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.67 163.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 67.6 t -129.84 125.1 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.72 ' C ' HG21 ' A' ' 171' ' ' THR . 6.6 t -101.37 79.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.958 ' HA ' HD13 ' A' ' 153' ' ' ILE . 5.8 mm -78.7 -16.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -27.78 66.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.1 -7.07 53.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.958 HD13 ' HA ' ' A' ' 150' ' ' ILE . 3.0 mp -94.12 97.49 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 7.2 ttt180 -128.58 162.42 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.579 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 6.4 tt0 -101.43 93.47 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -66.48 172.11 28.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -74.86 -21.91 58.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 32.8 tt0 -74.1 132.22 79.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.4 Cg_endo -75.01 144.84 30.67 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.799 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 38.9 t80 -55.13 -31.4 61.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -62.1 -45.48 93.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.27 -36.97 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.579 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 12.4 t80 -64.52 -41.65 96.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.8 -42.19 85.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.57 -41.6 81.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -66.74 -44.91 80.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.808 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.3 t80 -58.84 -47.65 84.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.785 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -76.25 -20.19 57.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.357 1.036 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -46.26 57.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.751 ' CG2' HD13 ' A' ' 150' ' ' ILE . 31.5 m -75.96 -33.05 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.785 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -55.09 -39.47 69.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -58.2 -21.15 46.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.0 15.32 24.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 176' ' ' GLN . 1.3 tm-20 -154.37 46.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 175' ' ' GLU . 6.3 tp-100 -34.92 150.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.614 1.196 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.442 ' HB1' ' CG2' ' A' ' 181' ' ' VAL . . . -41.63 161.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 181' ' ' VAL . 0.2 OUTLIER -143.57 175.69 9.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -60.26 -14.04 15.83 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.6 OUTLIER -96.47 29.54 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 178' ' ' SER . 2.2 t -66.46 -49.69 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -33.35 65.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -86.0 -25.81 25.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -84.42 157.7 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.852 ' HB1' ' HB ' ' A' ' 188' ' ' THR . . . -144.72 96.72 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.727 HG23 ' HE1' ' A' ' 168' ' ' PHE . 1.6 m -62.48 -59.94 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 191' ' ' VAL . 2.0 tm-20 -53.45 -47.05 70.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.852 ' HB ' ' HB1' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.364 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.6 mt -72.57 -47.03 51.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.643 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.7 tp -59.35 -44.4 92.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.987 HG13 HD13 ' A' ' 202' ' ' LEU . 58.4 t -68.9 -44.69 81.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -37.59 87.67 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 110.414 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 15.1 t-20 -88.1 6.63 35.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -96.52 158.62 15.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.42 1.075 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.2 OUTLIER -49.35 175.51 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.427 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -74.96 -52.94 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.43 1.752 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 201' ' ' ILE . 1.5 m-20 -51.48 -54.55 25.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 19.8 t -54.63 -37.3 65.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.504 1.127 . . . . 0.0 108.36 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -58.21 -44.82 88.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.7 m -64.91 -41.91 95.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.976 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -65.1 -35.18 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.445 1.09 . . . . 0.0 109.356 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.987 HD13 HG13 ' A' ' 191' ' ' VAL . 6.9 mt -70.11 -35.24 73.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -68.45 -35.52 77.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.05 -27.97 43.18 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.967 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -54.84 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 173.75 154.93 11.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.535 1.147 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 56.89 4.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.62 45.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.681 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -78.85 159.93 27.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 0.781 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.3 t -91.28 160.6 15.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.317 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.467 HD21 ' OH ' ' A' ' 169' ' ' TYR . 1.5 mm? -51.43 -40.48 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.372 1.045 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.87 -39.74 86.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.506 ' HG3' HD21 ' A' ' 205' ' ' LEU . 3.2 tp10 -70.27 -38.54 75.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.461 ' HG2' ' CD2' ' A' ' 202' ' ' LEU . 1.2 mtt -65.06 -44.34 89.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.579 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 23.3 ttp -70.92 -34.19 71.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.15 -39.0 86.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.976 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.35 -39.68 67.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.528 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.8 t -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.61 67.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.209 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.46 -29.33 55.96 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.504 1.128 . . . . 0.0 111.039 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER -46.55 121.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 109.363 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 65.97 166.04 1.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.427 1.079 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . 0.409 ' N ' ' CD ' ' A' ' 224' ' ' PRO . . . 147.18 -56.35 0.51 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 223' ' ' GLY . 18.5 Cg_endo -74.95 74.81 3.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.55 1.816 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 129.07 -153.22 19.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -132.88 106.66 7.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 0.793 . . . . 0.0 109.624 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 161.3 14.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -40.38 129.03 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.71 114.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.343 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 86.0 t -133.42 131.95 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.583 0.23 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.691 ' OG ' HD23 ' A' ' 151' ' ' LEU . 2.2 t -102.05 159.1 15.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 110.056 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.632 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.9 mm -80.93 -16.69 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.691 HD23 ' OG ' ' A' ' 149' ' ' SER . 1.3 pp -67.33 -29.47 69.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.434 ' C ' HD12 ' A' ' 153' ' ' ILE . 20.8 t0 -73.8 -13.53 60.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.846 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.4 105.99 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.4 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -140.02 167.1 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.525 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? -115.43 112.0 21.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -74.11 173.92 50.06 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.391 1.732 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -91.27 -18.59 24.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 41.2 tt0 -80.59 140.64 51.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 159' ' ' GLU . 18.2 Cg_endo -75.07 152.71 40.79 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 72.8 t80 -70.51 -23.58 62.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -67.37 -46.62 72.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.205 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -35.47 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.525 ' CG ' ' HB2' ' A' ' 155' ' ' GLN . 11.2 t80 -65.65 -47.08 76.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -61.19 -43.56 96.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -58.0 -43.26 86.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -44.29 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' CA ' HG21 ' A' ' 153' ' ' ILE . 53.8 t80 -58.25 -47.07 84.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.642 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.2 -21.71 58.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -44.37 62.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.649 HG21 ' O ' ' A' ' 149' ' ' SER . 92.4 m -73.89 -39.54 63.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 110.428 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.16 -47.09 84.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.73 -9.46 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -72.21 -22.75 61.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.4 OUTLIER -164.64 37.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.7 OUTLIER -38.21 97.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.79 158.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.236 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 7.8 t -177.11 160.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.957 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -13.19 24.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.2 OUTLIER -166.43 67.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.84 -40.55 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -44.26 97.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -74.6 -28.46 60.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -65.53 158.72 26.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 188' ' ' THR . . . -131.43 93.52 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 25.5 p -51.77 -45.24 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.697 ' O ' HG23 ' A' ' 191' ' ' VAL . 19.8 tp10 -58.5 -38.49 77.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.472 ' HB ' ' CB ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -68.07 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.3 mt -69.59 -47.27 64.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.199 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.8 OUTLIER -57.56 -44.14 85.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 187' ' ' GLU . 85.0 t -66.53 -47.15 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.83 -38.12 89.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 153' ' ' ILE . 30.9 t-20 -92.15 17.42 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -114.08 155.47 25.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.483 ' ND2' HE22 ' A' ' 155' ' ' GLN . 5.2 p-10 -41.38 162.17 0.12 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.353 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.01 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.14 -46.51 45.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.454 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 49.3 t -57.45 -36.27 71.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -63.12 -42.67 99.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.957 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.27 -36.16 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.409 HD13 HG22 ' A' ' 191' ' ' VAL . 0.1 OUTLIER -69.56 -33.01 72.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -67.31 -41.21 85.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.78 -26.36 54.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -66.71 -85.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.88 154.81 13.37 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.38 4.58 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.58 55.07 0.06 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.539 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.42 165.87 21.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.43 0.723 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -74.24 152.8 39.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.333 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.91 -44.68 60.11 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.09 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 210' ' ' THR . 1.4 tt0 -61.26 -33.88 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.354 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.516 ' HG2' HD21 ' A' ' 205' ' ' LEU . 3.3 tt0 -72.19 -42.42 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.474 ' CE ' ' O ' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -64.76 -47.21 79.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.609 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.4 ptt? -68.3 -31.64 71.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 1.1 m -67.83 -38.74 83.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.957 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -71.87 -38.55 70.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.581 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.9 t -63.04 -47.03 84.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -62.02 -29.59 70.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.18 -26.78 69.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.434 1.084 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.2 p -45.94 148.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.3 -165.63 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.492 1.12 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -176.61 166.74 37.81 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.56 21.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 108.31 175.64 21.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -149.03 -61.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 228' ' ' ALA . 4.5 tttt -55.09 112.55 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.26 123.66 1.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.158 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -42.42 134.77 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.7 102.91 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 148' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.58 0.229 . . . . 0.0 110.464 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.622 ' C ' HG21 ' A' ' 171' ' ' THR . 6.4 t -95.27 176.35 6.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.807 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.1 mm -79.95 -20.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.08 -40.27 93.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.52 -24.7 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.379 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.827 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -80.88 96.61 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.192 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -134.57 170.68 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 16.9 mt-30 -83.21 95.71 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.7 175.3 12.73 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -71.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.822 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -15.71 60.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.79 126.59 89.45 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.393 1.058 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.43 24.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.9 t80 -68.55 -30.71 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 111.003 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -46.18 86.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -66.63 -37.09 84.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.571 1.169 . . . . 0.0 109.259 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 8.6 t80 -65.32 -42.0 93.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.688 HG11 HD21 ' A' ' 211' ' ' LEU . 3.7 t -66.08 -42.27 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -57.59 -44.0 85.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.461 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.2 OUTLIER -63.72 -43.33 96.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.38 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.827 ' CA ' HG21 ' A' ' 153' ' ' ILE . 51.6 t80 -58.35 -47.29 84.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.793 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.16 -21.6 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -72.92 -44.4 61.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.807 ' CG2' HD13 ' A' ' 150' ' ' ILE . 57.2 m -74.2 -37.2 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.184 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.822 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.49 -50.34 73.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 172' ' ' LEU . 1.0 OUTLIER -68.27 -8.16 37.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -75.06 -17.54 60.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.64 46.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.538 ' O ' HD12 ' A' ' 172' ' ' LEU . 0.8 OUTLIER 179.28 151.99 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.229 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.09 70.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.769 ' HA ' HG23 ' A' ' 181' ' ' VAL . 1.6 t 67.89 33.8 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.61 1.194 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 180' ' ' GLU . 0.0 OUTLIER -73.87 -30.8 62.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 179' ' ' GLN . 13.3 mt-10 -164.54 54.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.769 HG23 ' HA ' ' A' ' 178' ' ' SER . 55.6 t -52.18 -39.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.61 73.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . 0.4 ' CB ' ' HB3' ' A' ' 180' ' ' GLU . 14.7 t-20 -79.67 -15.2 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -171.1 109.06 0.3 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.953 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -80.57 122.89 27.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.7 p -45.1 -46.23 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.7 pm0 -65.25 -30.58 71.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.953 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -71.05 -43.6 67.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.3 mt -68.67 -46.46 69.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.671 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.2 tp -57.98 -44.13 86.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.939 HG22 HD13 ' A' ' 202' ' ' LEU . 42.1 t -65.71 -47.64 85.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -38.01 89.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 42.9 t-20 -89.35 13.81 12.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.198 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -103.14 158.98 15.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.458 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 0.9 OUTLIER -48.16 175.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.2 Cg_endo -75.06 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.574 1.829 . . . . 0.0 110.992 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.9 OUTLIER -51.76 -54.08 32.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 202' ' ' LEU . 20.5 t -54.58 -37.5 65.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -58.61 -44.52 89.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 97.9 m -65.15 -41.85 94.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.458 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.951 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.02 -38.69 83.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.201 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.939 HD13 HG22 ' A' ' 191' ' ' VAL . 5.6 mt -72.4 -29.9 64.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -70.3 -35.44 73.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.56 -31.1 41.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.831 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -53.26 -84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 164.57 155.49 8.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.34 4.52 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.479 1.779 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 167.01 40.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.619 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.02 157.35 26.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.406 ' OG1' ' HG3' ' A' ' 212' ' ' GLU . 7.6 p -101.36 -172.01 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.688 HD21 HG11 ' A' ' 165' ' ' VAL . 1.6 tm? -70.95 -55.39 8.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 213' ' ' GLU . 1.2 pp20? -54.24 -42.25 69.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.524 ' HG3' HD21 ' A' ' 205' ' ' LEU . 1.2 tp10 -67.36 -44.22 79.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 23.2 mtm -61.85 -42.3 98.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.559 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.41 -32.68 70.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.32 -40.05 89.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.951 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.67 -40.29 69.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.419 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.8 t -64.81 -38.33 90.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.78 -27.69 68.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.335 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -74.19 -25.93 69.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.5 OUTLIER -48.01 152.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.403 0.708 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.96 -166.64 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 108.09 -90.39 0.62 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 170.67 19.9 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.559 1.821 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -111.98 -154.65 12.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.362 1.039 . . . . 0.0 111.044 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -179.62 176.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 0.776 . . . . 0.0 109.658 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -117.67 113.17 21.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -40.78 -69.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 109.354 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.64 117.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 110.286 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.71 151.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.546 0.213 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.624 ' C ' HG21 ' A' ' 171' ' ' THR . 8.5 t -98.64 174.91 6.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 0.0 109.99 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.574 ' HA ' HD13 ' A' ' 153' ' ' ILE . 6.8 mm -73.79 -19.08 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.31 -32.66 74.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.458 ' C ' HD12 ' A' ' 153' ' ' ILE . 21.6 t70 -68.41 -14.8 63.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.838 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -87.25 96.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.519 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 8.5 mtt85 -122.23 164.03 18.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.235 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.576 ' HB2' ' CE2' ' A' ' 164' ' ' TYR . 4.6 tt0 -100.69 99.25 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.03 165.21 54.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -50.05 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.768 . . . . 0.0 111.084 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -24.57 58.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -81.81 134.25 50.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 157.05 43.23 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.602 1.843 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 57.0 t80 -63.53 -29.91 71.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.194 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -45.64 91.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -34.21 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 155' ' ' GLN . 14.7 t80 -67.21 -38.92 86.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.9 t -70.79 -41.92 77.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -57.68 -44.9 86.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.31 -44.34 88.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.838 ' CA ' HG21 ' A' ' 153' ' ' ILE . 46.8 t80 -58.19 -47.83 82.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.941 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.38 -21.0 58.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -72.28 -45.19 61.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.243 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.624 HG21 ' C ' ' A' ' 149' ' ' SER . 53.0 m -74.84 -36.58 62.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.941 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.1 OUTLIER -57.06 -42.05 79.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.94 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -133.37 26.76 4.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 176.57 54.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.411 1.069 . . . . 0.0 110.265 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.423 ' CG ' HG12 ' A' ' 181' ' ' VAL . 0.0 OUTLIER 179.27 131.05 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.65 87.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.473 ' CB ' ' HB ' ' A' ' 181' ' ' VAL . 0.3 OUTLIER -139.29 172.41 12.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.098 . . . . 0.0 109.995 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -58.86 -30.24 67.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.851 ' C ' ' HB3' ' A' ' 184' ' ' ALA . 0.1 OUTLIER -155.4 62.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.245 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 178' ' ' SER . 39.5 t -134.65 -45.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.553 ' HG2' HD11 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -54.14 -57.52 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.03 -31.28 12.23 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.851 ' HB3' ' C ' ' A' ' 180' ' ' GLU . . . -87.72 148.24 24.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . 66.1 10.29 6.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -60.07 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 191' ' ' VAL . 9.6 pm0 -60.87 -29.1 69.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.5 OUTLIER -71.39 -42.44 68.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -59.15 -44.07 92.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 187' ' ' GLU . 56.0 t -66.13 -46.39 87.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -64.7 -38.16 90.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.2 t-20 -87.48 8.98 22.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.59 166.69 11.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.27 172.71 0.27 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.6 1.187 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -52.54 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -51.58 -50.7 59.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -54.22 -37.91 65.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 108.258 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.46 -43.37 88.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 85.0 m -65.22 -40.69 94.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.793 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.7 OUTLIER -63.74 -46.18 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.719 HD13 HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -68.96 -24.43 64.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -73.4 -49.32 27.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.389 1.056 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.5 -18.71 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 1.081 HD21 ' HB2' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -78.62 -68.46 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.609 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 166.21 133.45 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 57.17 4.48 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 164.57 41.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.596 1.185 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 1.081 ' HB2' HD21 ' A' ' 205' ' ' LEU . . . -80.95 162.12 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 0.798 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 213' ' ' GLU . 10.1 t -92.43 154.79 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 211' ' ' LEU . 0.9 OUTLIER -39.59 -37.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -67.59 -51.57 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.754 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.0 OUTLIER -66.06 -38.43 88.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.076 . . . . 0.0 110.234 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.604 ' HE2' ' HB3' ' A' ' 209' ' ' ALA . 1.4 mtt -63.51 -39.88 95.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.6 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -71.9 -33.05 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -40.22 88.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.793 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.72 -41.91 67.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.513 ' HG ' ' HD1' ' A' ' 161' ' ' PHE . 5.8 t -61.3 -40.2 93.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.79 -24.65 66.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.586 1.179 . . . . 0.0 110.282 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.26 -25.26 61.85 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.553 1.158 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -46.18 146.18 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.195 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 65.07 165.93 1.27 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 56.88 -127.57 44.95 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.71 34.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 148.51 -100.6 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -143.97 163.99 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.572 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.2 OUTLIER -92.44 131.47 37.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.382 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.33 149.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.64 148.23 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.357 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 57.4 t -135.82 137.96 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 171' ' ' THR . 1.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.516 ' C ' HG21 ' A' ' 171' ' ' THR . 3.1 t -86.1 177.15 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.887 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.0 mm -73.07 -18.15 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.5 pp -66.94 -30.85 71.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.7 -15.58 62.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.768 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.75 77.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.2 170.9 8.9 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.574 ' NE2' HD21 ' A' ' 195' ' ' ASN . 0.0 OUTLIER -77.84 94.47 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.41 -154.34 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.537 1.148 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -89.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.366 1.719 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.15 -11.25 59.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -55.6 112.12 3.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.96 4.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 19.4 t80 -70.81 -32.1 69.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -46.08 91.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.29 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.29 -33.44 75.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.448 ' HE1' HD12 ' A' ' 190' ' ' LEU . 4.1 t80 -66.95 -44.11 81.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.3 t -65.23 -42.5 94.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.23 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 170' ' ' LYS . 1.4 m-20 -58.91 -44.31 91.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.623 1.202 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -43.27 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.768 ' CA ' HG21 ' A' ' 153' ' ' ILE . 53.7 t80 -58.45 -47.36 84.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.802 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.26 -21.96 55.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.437 ' CE ' ' HB3' ' A' ' 166' ' ' ASP . 14.9 mtmt -72.64 -44.09 62.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.887 ' HB ' HD13 ' A' ' 150' ' ' ILE . 34.8 m -74.01 -39.28 63.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.102 . . . . 0.0 110.445 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.802 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.51 -49.52 76.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 173' ' ' ARG . 2.9 ttp-105 -67.59 -16.0 63.95 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -83.77 -29.77 27.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.4 mt-10 164.68 60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.466 ' HB3' ' CA ' ' A' ' 172' ' ' LEU . 1.4 pp0? -56.61 86.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.3 151.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.458 ' CB ' ' HB ' ' A' ' 181' ' ' VAL . 0.2 OUTLIER -173.18 171.08 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.029 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -58.8 -18.9 36.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.39 46.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.723 HG13 ' CD1' ' A' ' 189' ' ' LEU . 13.7 t -129.49 -48.29 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.389 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -57.26 -43.12 82.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -63.9 -31.79 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -83.53 151.77 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.908 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -83.4 166.15 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.472 HG23 ' HE1' ' A' ' 168' ' ' PHE . 15.1 m -62.76 -80.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 188' ' ' THR . 0.9 OUTLIER -47.23 -28.89 2.08 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.427 1.079 . . . . 0.0 110.31 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.908 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -71.07 -35.5 71.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.723 ' CD1' HG13 ' A' ' 181' ' ' VAL . 2.3 mt -75.39 -44.15 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -58.62 -42.72 88.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.983 HG22 HD13 ' A' ' 202' ' ' LEU . 38.7 t -75.35 -47.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.6 tp60 -60.7 -40.27 91.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 189' ' ' LEU . 2.6 t-20 -88.15 14.9 8.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 109.406 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -111.34 159.94 17.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.574 HD21 ' NE2' ' A' ' 155' ' ' GLN . 0.2 OUTLIER -42.51 165.3 0.1 OUTLIER Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -48.32 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.583 1.833 . . . . 0.0 111.058 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.59 -51.92 33.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.458 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 10.6 t -56.37 -36.81 69.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 108.358 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -57.59 -44.98 85.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 63.6 m -64.16 -42.13 96.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.941 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.86 -37.52 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.983 HD13 HG22 ' A' ' 191' ' ' VAL . 1.4 mt -72.22 -31.93 66.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -67.02 -38.27 85.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.228 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.53 -30.79 53.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.755 HD21 ' CG ' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -57.52 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.83 155.68 11.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 56.8 4.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.448 1.762 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 151.69 50.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.551 1.157 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.745 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.23 157.26 27.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 0.799 . . . . 0.0 109.259 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 213' ' ' GLU . 12.9 t -93.65 154.57 17.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.532 HD21 ' OH ' ' A' ' 169' ' ' TYR . 2.8 mp -44.81 -36.07 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -63.46 -50.05 71.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.175 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.755 ' CG ' HD21 ' A' ' 205' ' ' LEU . 4.6 tp10 -68.26 -36.07 78.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.627 ' HG2' HD21 ' A' ' 202' ' ' LEU . 4.4 mtt -65.21 -46.56 80.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.572 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 1.5 ttp -69.5 -32.69 71.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -38.81 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.941 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.35 -37.67 68.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.565 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -63.54 -43.26 97.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 108.348 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -27.96 69.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.231 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.16 -26.97 65.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.9 OUTLIER -46.73 149.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.12 -165.86 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 134.94 -177.54 19.23 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 109.94 3.02 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.524 1.802 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 167.66 167.16 27.91 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.434 1.084 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -106.56 138.47 42.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.623 0.837 . . . . 0.0 109.557 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -84.7 -62.73 1.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.231 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.62 157.88 0.65 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.71 135.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 70.5 t -119.11 116.71 51.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 148' ' ' THR . 1.1 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.649 ' O ' HG21 ' A' ' 171' ' ' THR . 1.0 OUTLIER -100.03 164.89 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.969 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.704 HD13 ' CG2' ' A' ' 171' ' ' THR . 6.8 mm -80.17 -17.1 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.461 HD23 ' OG ' ' A' ' 149' ' ' SER . 1.5 pp -66.94 -30.68 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 153' ' ' ILE . 11.4 t70 -71.91 -14.47 61.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.838 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.23 98.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.38 171.59 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.751 ' OE1' ' HB1' ' A' ' 194' ' ' ALA . 0.1 OUTLIER -81.78 90.66 6.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -49.4 174.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.511 1.795 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -15.92 60.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 163' ' ' ASP . 24.7 tt0 -71.04 129.13 89.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.595 1.185 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.11 176.0 10.5 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.431 1.753 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 30.2 t80 -70.35 -34.8 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.03 90.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.417 ' HB2' ' CG ' ' A' ' 159' ' ' GLU . 4.0 m-20 -64.97 -39.44 93.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -62.55 -43.85 97.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.7 t -63.89 -42.5 96.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.626 1.204 . . . . 0.0 109.284 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -40.88 79.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -66.41 -44.89 81.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.838 ' CA ' HG21 ' A' ' 153' ' ' ILE . 49.1 t80 -58.13 -47.36 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.84 -21.23 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -72.43 -44.6 62.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.704 ' CG2' HD13 ' A' ' 150' ' ' ILE . 59.7 m -74.04 -39.12 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.42 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.91 -47.63 82.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.429 1.08 . . . . 0.0 109.367 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 23.5 mtt85 -75.78 -7.44 54.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -79.07 -17.37 55.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.045 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.5 OUTLIER -173.17 45.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 110.225 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 172' ' ' LEU . 0.7 OUTLIER -37.61 96.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -179.85 149.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.14 167.33 14.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -60.01 -14.81 17.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.27 73.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.88 -41.36 92.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.74 38.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.84 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -83.65 157.8 22.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.944 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -121.67 119.74 32.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 51.3 p -51.74 -42.41 62.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.698 ' OE1' ' HB1' ' A' ' 185' ' ' ALA . 1.4 pm0 -66.46 -29.14 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.944 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -71.22 -38.19 72.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -46.71 51.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.807 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.6 OUTLIER -59.86 -44.58 94.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.378 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.481 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 34.7 t -68.14 -46.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.1 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 13.6 t-20 -94.93 20.39 8.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -108.84 159.4 16.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 0.4 OUTLIER -43.18 165.21 0.11 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.0 Cg_endo -75.04 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.48 -47.4 48.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 15.1 t -59.1 -35.59 73.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 108.342 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 3.0 tttm -56.9 -47.33 80.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 53.7 m -62.22 -43.4 98.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.458 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.912 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.28 -37.71 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 191' ' ' VAL . 0.1 OUTLIER -66.69 -35.32 79.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -64.04 -40.32 96.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -74.88 -26.25 59.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -61.92 -92.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.68 154.73 13.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.098 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.39 5.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 148.38 44.23 0.03 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.578 1.174 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.73 162.54 24.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 3.6 t -94.95 165.27 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.453 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -54.81 -52.15 63.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -46.14 -39.54 9.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -73.21 -38.91 65.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.442 ' CE ' ' HB2' ' A' ' 187' ' ' GLU . 40.8 mtt -63.86 -44.62 92.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.536 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 34.8 ttp -70.39 -35.66 73.61 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -38.07 89.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 110.414 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.912 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.4 -42.65 64.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.486 ' O ' HG12 ' A' ' 221' ' ' VAL . 11.6 t -57.98 -44.06 86.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 108.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -61.8 -25.33 67.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.91 -28.91 58.02 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.422 1.077 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.5 OUTLIER -48.0 135.77 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.51 166.71 3.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 50.32 -147.51 7.67 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.48 42.64 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 154.41 173.56 23.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.26 144.78 44.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.617 0.834 . . . . 0.0 109.673 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -107.19 166.86 10.32 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.68 174.99 0.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 179.64 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.63 80.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.387 1.054 . . . . 0.0 109.345 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.409 1.068 . . . . 0.0 109.229 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 171' ' ' THR . 13.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.664 ' C ' HG21 ' A' ' 171' ' ' THR . 3.4 t -93.21 171.04 9.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.957 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.814 HD13 ' CG2' ' A' ' 171' ' ' THR . 8.5 mm -78.62 -18.11 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.15 -33.11 75.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.232 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.424 ' C ' HD12 ' A' ' 153' ' ' ILE . 1.7 t0 -68.26 -15.65 63.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.835 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -85.84 97.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 8.2 ttm180 -124.05 161.04 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.258 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 4.7 tt0 -96.56 95.02 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.75 165.78 32.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.123 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -21.15 53.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.358 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 47.9 tt0 -77.98 134.96 63.4 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.1 Cg_endo -74.98 149.14 36.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 48.4 t80 -58.65 -28.18 65.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -66.81 -34.14 77.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.8 t80 -66.87 -41.01 87.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.431 1.082 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.44 -42.14 83.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -57.61 -44.68 85.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -44.14 92.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.835 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.4 t80 -58.13 -47.27 83.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.776 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -75.58 -20.6 58.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.88 -45.16 62.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.814 ' CG2' HD13 ' A' ' 150' ' ' ILE . 25.5 m -74.88 -37.79 62.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.529 1.143 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.48 -45.41 84.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -84.38 9.91 12.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 110.175 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -97.72 -22.04 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 177' ' ' ALA . 2.4 tt0 -170.03 45.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 177' ' ' ALA . 0.0 OUTLIER -37.7 96.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.073 . . . . 0.0 110.315 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.93 150.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 t -168.66 171.83 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -15.58 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 178.95 73.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.15 -40.2 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -57.52 12.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.416 1.073 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -32.02 71.69 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.391 1.057 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -82.66 159.65 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.862 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -124.4 138.54 54.35 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.157 . . . . 0.0 109.393 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.526 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -59.4 -68.75 0.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.375 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 191' ' ' VAL . 1.6 tp10 -45.31 -30.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.862 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -70.54 -40.46 73.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.434 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 186' ' ' THR . 2.7 mp -71.77 -47.11 55.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.72 -43.82 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.942 HG13 HD22 ' A' ' 202' ' ' LEU . 54.9 t -68.6 -46.51 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -62.89 -38.06 89.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 154' ' ' ARG . 0.1 OUTLIER -87.94 13.05 11.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -87.45 170.24 11.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.464 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.3 m-20 -62.9 175.87 0.6 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -74.98 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.498 1.788 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.85 -46.58 74.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.9 t -54.0 -36.48 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . 0.513 ' HA ' HD21 ' A' ' 202' ' ' LEU . 9.4 tttm -60.95 -41.69 96.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 90.2 m -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 110.444 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 1.04 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.23 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.942 HD22 HG13 ' A' ' 191' ' ' VAL . 4.5 pp -69.9 -25.11 63.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -71.74 -44.89 63.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 -20.17 52.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.838 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.1 OUTLIER -82.8 -68.12 0.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.838 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 174.81 132.28 1.54 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 56.53 4.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 138.59 44.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.437 1.085 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.826 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.03 170.62 16.21 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.546 0.792 . . . . 0.0 109.209 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.9 162.17 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 211' ' ' LEU . 2.1 tm? -56.21 -54.89 39.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 3.3 mt-10 -57.22 -27.7 62.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.581 1.175 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.835 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.1 OUTLIER -71.64 -44.72 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -46.93 80.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.598 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 5.0 ppp? -69.58 -29.1 66.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 212' ' ' GLU . 1.2 m -67.86 -41.48 82.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.04 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -70.82 -42.06 70.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.652 ' O ' HG12 ' A' ' 221' ' ' VAL . 7.2 t -59.79 -45.82 91.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 108.244 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -26.97 68.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.63 -23.29 67.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.552 1.158 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 218' ' ' CYS . 4.2 p -41.06 150.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.27 -165.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.601 1.188 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -81.06 166.15 48.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 164.7 32.84 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -100.84 -58.11 0.85 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.44 1.087 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.64 167.93 1.76 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 0.733 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 228' ' ' ALA . 11.1 pttt -130.77 116.0 17.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.26 142.8 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.78 134.31 2.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 9.1 p -97.25 161.0 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.484 1.115 . . . . 0.0 109.403 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.539 0.209 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.782 ' O ' HG21 ' A' ' 171' ' ' THR . 1.8 t -110.38 109.82 20.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.726 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.7 mm -87.91 -18.34 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.446 ' HA ' ' ND2' ' A' ' 193' ' ' ASN . 0.5 OUTLIER -64.44 -31.72 73.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -70.52 -20.1 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.839 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -80.15 82.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' A' ' 164' ' ' TYR . 5.1 ptt180 -127.9 169.8 13.53 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.599 1.187 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 155' ' ' GLN . 2.1 pm0 -82.31 117.76 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -85.16 -159.22 30.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -77.78 -12.46 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -64.92 115.39 20.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.89 9.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.5 t80 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -62.27 -44.2 97.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.92 -33.49 75.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 154' ' ' ARG . 3.3 t80 -67.31 -43.36 81.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.61 -45.39 85.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.386 1.054 . . . . 0.0 109.231 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.37 -45.87 90.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.364 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -66.27 -41.95 89.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.839 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.0 t80 -59.78 -47.37 85.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.776 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.09 -21.77 58.71 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -72.7 -44.51 61.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.782 HG21 ' O ' ' A' ' 149' ' ' SER . 58.7 m -73.99 -37.43 64.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.404 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.93 -49.54 76.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.507 ' N ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -64.59 -11.43 34.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -73.73 -20.88 60.39 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.8 OUTLIER 174.09 59.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 172' ' ' LEU . 1.6 tm0? -37.34 120.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 110.336 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -176.25 156.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 181' ' ' VAL . 0.1 OUTLIER -172.03 151.52 2.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 110.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.83 -12.72 61.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.565 ' HB3' ' HB2' ' A' ' 185' ' ' ALA . 0.0 OUTLIER -130.04 48.41 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 178' ' ' SER . 95.9 t -69.92 -36.03 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -52.63 -42.39 64.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . 0.53 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 0.7 OUTLIER -99.7 -11.75 20.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 183' ' ' ASN . . . 72.87 105.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 180' ' ' GLU . . . -105.31 19.87 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.602 HG23 ' HE1' ' A' ' 168' ' ' PHE . 3.3 m -62.58 -81.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.792 ' O ' HG23 ' A' ' 191' ' ' VAL . 0.7 OUTLIER -45.02 -34.23 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -37.56 85.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.364 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 186' ' ' THR . 3.3 mt -71.31 -46.59 60.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.724 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -54.27 -42.82 70.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.487 1.117 . . . . 0.0 109.201 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 187' ' ' GLU . 46.8 t -72.37 -47.79 50.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -58.56 -52.95 63.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 151' ' ' LEU . 3.1 t-20 -70.11 -5.22 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.188 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -95.19 153.3 17.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 3.9 p-10 -40.27 160.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -47.16 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -49.13 -46.11 44.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 49.7 t -54.53 -37.33 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 108.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -45.75 87.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 91.9 m -62.8 -40.72 98.22 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.424 1.078 . . . . 0.0 110.454 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.806 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -64.18 -43.25 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.35 -22.8 61.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -71.6 -47.29 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.59 -22.96 53.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 1.088 HD13 ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -82.33 -56.5 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.362 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.651 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 168.37 127.13 0.89 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 57.1 4.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.435 1.755 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.48 44.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.644 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.25 167.2 20.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 211' ' ' LEU . 0.8 OUTLIER -59.04 167.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.431 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.483 ' N ' ' CG2' ' A' ' 210' ' ' THR . 6.2 tt -56.23 -56.74 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.382 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -32.1 53.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.553 ' CG ' ' HB1' ' A' ' 209' ' ' ALA . 1.7 tt0 -67.52 -46.68 72.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -41.09 97.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.8 ttm -70.24 -31.98 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -39.99 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.088 ' HB2' HD13 ' A' ' 205' ' ' LEU . . . -71.45 -42.81 67.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.439 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.0 t -58.94 -45.89 89.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.68 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.369 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.09 -22.85 64.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 201' ' ' ILE . 1.0 OUTLIER -47.11 153.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.358 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.22 -165.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.429 1.08 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -143.09 159.63 27.46 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 165.86 30.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -58.65 154.18 27.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -85.49 -63.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.738 . . . . 0.0 109.581 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -73.98 160.45 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.61 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.523 1.139 . . . . 0.0 109.238 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.55 155.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 9.6 p -89.63 151.6 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.548 0.213 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.74 ' O ' HG21 ' A' ' 171' ' ' THR . 1.7 t -124.18 106.59 10.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.063 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.764 HD13 ' CG2' ' A' ' 171' ' ' THR . 5.5 mm -83.82 -18.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -32.51 74.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -69.18 -22.83 63.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.67 HG22 ' CE1' ' A' ' 164' ' ' TYR . 1.2 mp -76.3 119.5 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.43 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 10.0 ptt180 -152.59 164.24 38.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.227 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.445 ' HB2' ' CG ' ' A' ' 164' ' ' TYR . 1.2 tm0? -118.24 112.51 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.354 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -70.38 -174.73 16.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.32 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 79.2 tt0 -69.03 136.48 89.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.6 Cg_endo -74.86 148.5 36.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 76.1 t80 -70.49 -22.65 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -45.66 82.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.582 1.177 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -64.0 -39.43 94.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 109.223 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.67 ' CE1' HG22 ' A' ' 153' ' ' ILE . 12.5 t80 -63.03 -44.75 95.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 169' ' ' TYR . 5.1 t -61.7 -43.18 96.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -42.77 85.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -66.67 -44.82 80.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.61 ' CA ' HG21 ' A' ' 153' ' ' ILE . 62.3 t80 -58.25 -47.12 84.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.658 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.0 m-85 -74.35 -22.71 59.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -72.93 -44.57 61.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 109.224 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.764 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.8 m -74.03 -35.14 64.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.462 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.65 -39.81 74.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.405 1.066 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -61.4 -32.05 71.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -98.77 14.37 29.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 176' ' ' GLN . 1.7 tm-20 -147.59 42.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 177' ' ' ALA . 5.2 tt0 -37.11 155.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.235 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 176' ' ' GLN . . . -39.54 154.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.1 172.14 13.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.52 -38.0 82.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.354 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.3 30.78 6.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 4.9 t -131.75 -45.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -35.34 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -60.5 -31.96 70.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -87.91 99.82 12.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.865 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -47.37 109.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 m -39.33 -58.7 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.409 ' CD ' ' C ' ' A' ' 187' ' ' GLU . 3.4 tm-20 -51.03 -39.49 56.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.865 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.49 -28.49 68.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.2 mt -72.23 -47.0 53.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.602 1.189 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.752 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -58.7 -44.94 90.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.62 -46.68 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.09 89.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 36.7 t-20 -92.42 17.66 9.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -113.02 160.54 18.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 4.0 p-10 -41.81 162.43 0.14 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.5 Cg_endo -75.1 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.27 -44.75 44.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.463 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 43.2 t -59.28 -35.75 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 108.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -56.73 -47.07 80.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 51.6 m -62.86 -42.97 99.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.942 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.27 -34.63 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 202' ' ' LEU . 0.1 OUTLIER -69.88 -34.6 73.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -67.53 -38.25 83.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.143 . . . . 0.0 109.404 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.59 -23.03 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.372 1.045 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.46 -83.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 177.3 153.42 10.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 57.89 4.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 152.46 49.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -79.9 155.33 27.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 213' ' ' GLU . 9.5 t -94.27 149.01 21.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.879 HD13 ' N ' ' A' ' 212' ' ' GLU . 0.0 OUTLIER -41.43 -31.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.879 ' N ' HD13 ' A' ' 211' ' ' LEU . 4.4 tt0 -67.92 -51.14 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.539 ' CG ' HD21 ' A' ' 205' ' ' LEU . 1.5 tp10 -66.39 -39.82 89.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 25.7 mtm -63.33 -42.99 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 6.7 ttp -68.92 -35.4 76.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -37.96 85.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.942 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.15 -37.52 69.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.619 ' O ' HG12 ' A' ' 221' ' ' VAL . 10.1 t -63.57 -46.2 86.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.227 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -24.63 67.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.71 -29.98 53.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.593 1.183 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.7 OUTLIER -49.66 144.79 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -66.86 -165.78 2.33 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.448 1.093 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 130.74 -84.15 0.31 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 161.75 38.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -93.21 -123.48 3.49 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.526 1.142 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -144.18 105.91 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.409 0.711 . . . . 0.0 109.663 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -141.96 147.73 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.57 147.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.519 ' O ' HG12 ' A' ' 230' ' ' VAL . 1.6 ttt180 179.62 144.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.746 HG22 ' H ' ' A' ' 231' ' ' LEU . 2.2 p 44.34 -168.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . 0.746 ' H ' HG22 ' A' ' 230' ' ' VAL . 2.1 pp . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.18 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 148' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.556 0.217 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.755 ' C ' HG21 ' A' ' 171' ' ' THR . 6.2 t -102.87 174.11 6.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.931 ' HA ' HD13 ' A' ' 153' ' ' ILE . 5.7 mm -76.98 -15.75 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.479 1.112 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.5 -30.36 70.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.72 -7.95 53.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.931 HD13 ' HA ' ' A' ' 150' ' ' ILE . 2.6 mp -94.56 96.98 6.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.464 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -126.68 162.57 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 195' ' ' ASN . 19.3 tt0 -94.88 98.89 11.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -73.46 162.57 54.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.583 1.177 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -74.19 -23.55 59.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 109.276 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.68 138.02 47.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 157.6 42.35 Favored 'Trans proline' 0 C--N 1.362 1.263 0 O-C-N 124.415 1.744 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 55.0 t80 -66.39 -30.87 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -45.47 92.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.93 -35.16 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.377 1.048 . . . . 0.0 109.245 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.464 ' CE1' ' C ' ' A' ' 154' ' ' ARG . 12.6 t80 -66.23 -43.08 87.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 t -65.32 -42.94 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.072 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -57.51 -43.73 84.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -42.8 98.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.831 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.0 t80 -59.34 -47.47 85.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.732 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.21 -19.01 58.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -71.28 -46.24 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.765 ' CG2' HD13 ' A' ' 150' ' ' ILE . 12.9 m -75.89 -39.12 57.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -56.65 -44.94 81.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.3 10.54 12.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 110.326 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.08 -15.79 15.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER -168.23 43.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 110.271 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.547 ' HG2' HD12 ' A' ' 172' ' ' LEU . 0.3 OUTLIER -38.39 96.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 179.72 150.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.748 ' HB2' HG22 ' A' ' 181' ' ' VAL . 0.3 OUTLIER -167.75 170.41 10.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.041 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -61.52 -13.61 22.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 177.25 75.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.247 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 178' ' ' SER . 59.5 t -59.85 -38.53 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.8 11.24 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.31 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 181' ' ' VAL . . . -84.79 160.58 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.822 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -132.52 136.79 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.545 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -59.25 -69.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.446 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.545 ' N ' HG22 ' A' ' 186' ' ' THR . 0.8 OUTLIER -45.07 -33.84 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.822 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -69.97 -40.01 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.35 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 193' ' ' ASN . 1.8 mp -69.75 -46.78 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.4 tp -57.09 -44.35 83.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.388 1.055 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.673 HG22 ' HE3' ' A' ' 214' ' ' MET . 39.8 t -66.76 -46.82 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.92 -37.85 88.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 47.4 t-20 -92.25 17.11 10.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.39 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -101.59 178.36 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 155' ' ' GLN . 0.3 OUTLIER -61.25 169.66 2.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.044 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.04 -45.37 61.28 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.404 ' SG ' HD23 ' A' ' 202' ' ' LEU . 41.9 t -54.56 -36.06 63.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.57 -47.13 82.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 66.5 m -62.39 -42.41 99.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.944 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.06 -34.61 69.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.614 HD11 ' HG2' ' A' ' 214' ' ' MET . 0.5 OUTLIER -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -66.6 -38.79 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.82 -24.5 44.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.1 OUTLIER -69.05 -84.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.52 147.63 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.41 1.069 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 57.58 4.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 150.49 44.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.451 1.094 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.492 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.4 164.54 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 213' ' ' GLU . 14.6 t -88.46 147.93 24.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.491 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -34.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.389 1.056 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.02 -46.4 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.726 ' HG3' HD21 ' A' ' 205' ' ' LEU . 2.4 tp10 -67.16 -39.03 86.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.673 ' HE3' HG22 ' A' ' 191' ' ' VAL . 3.2 mtp -64.03 -41.23 97.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.589 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.8 ttt -71.58 -34.26 69.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.1 -38.64 86.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.944 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.32 -41.83 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.476 ' O ' HG12 ' A' ' 221' ' ' VAL . 8.8 t -59.31 -45.29 91.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.06 67.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.053 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.94 -29.71 53.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -42.03 121.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.346 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.17 166.14 2.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -137.51 149.07 20.18 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 103.67 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.437 1.756 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -111.09 -109.56 3.14 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.579 1.174 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.87 145.48 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.624 0.838 . . . . 0.0 109.638 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -99.45 172.52 7.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.65 152.18 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.48 136.84 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.8 p -91.41 146.85 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.556 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 171' ' ' THR . 1.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.716 ' O ' HG21 ' A' ' 171' ' ' THR . 6.3 t -86.94 174.12 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.723 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.3 mm -79.85 -17.41 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.54 -25.27 64.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.385 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.447 ' C ' HD12 ' A' ' 153' ' ' ILE . 16.0 t70 -78.38 -10.4 59.67 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.72 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.1 mp -86.27 90.53 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.53 166.22 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.571 ' HB2' ' CD1' ' A' ' 164' ' ' TYR . 0.3 OUTLIER -153.2 132.08 12.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.179 -179.922 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -93.48 -165.94 37.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.71 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -72.63 -25.75 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.466 ' CG ' ' HD2' ' A' ' 160' ' ' PRO . 29.9 tt0 -61.33 140.1 94.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 159' ' ' GLU . 18.3 Cg_endo -74.94 134.33 17.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.56 1.821 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 9.7 t80 -71.32 -29.13 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -47.97 82.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -67.46 -32.83 73.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 155' ' ' GLN . 32.6 t80 -66.48 -46.49 76.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 211' ' ' LEU . 3.2 t -62.79 -43.11 98.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.581 1.175 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -58.58 -40.63 83.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -68.03 -46.6 70.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.72 ' CA ' HG21 ' A' ' 153' ' ' ILE . 54.0 t80 -57.92 -47.08 83.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.645 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.63 -21.83 57.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -44.24 63.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.723 ' CG2' HD13 ' A' ' 150' ' ' ILE . 54.9 m -74.18 -38.93 63.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.79 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -57.94 -43.47 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -0.14 32.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -92.85 -16.1 25.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 177' ' ' ALA . 1.7 tt0 172.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.381 1.051 . . . . 0.0 110.323 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 176' ' ' GLN . 7.4 pt20 -36.99 97.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -176.29 151.6 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.591 ' HB2' HG22 ' A' ' 181' ' ' VAL . 0.2 OUTLIER -161.56 171.23 18.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -15.79 17.16 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.56 1.162 . . . . 0.0 110.326 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 175.85 75.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.591 HG22 ' HB2' ' A' ' 178' ' ' SER . 59.5 t -62.3 -39.75 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -62.82 -49.22 75.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -67.19 -31.13 71.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -117.59 87.99 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.769 ' HB1' ' OE1' ' A' ' 187' ' ' GLU . . . -48.85 142.36 6.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.55 HG23 ' H ' ' A' ' 187' ' ' GLU . 1.2 t -43.92 -58.4 2.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.619 1.199 . . . . 0.0 110.417 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.769 ' OE1' ' HB1' ' A' ' 185' ' ' ALA . 2.7 pm0 -55.24 -30.22 59.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -70.11 -37.19 75.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.4 mt -69.9 -46.29 65.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.74 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -57.14 -43.47 82.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.392 179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' A' ' 202' ' ' LEU . 48.0 t -68.5 -48.58 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -38.42 88.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 150' ' ' ILE . 34.1 t-20 -91.37 17.79 8.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.389 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -111.59 160.83 16.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.546 ' N ' ' OD1' ' A' ' 195' ' ' ASN . 2.0 p-10 -42.11 163.44 0.13 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 195' ' ' ASN . 18.3 Cg_endo -75.0 -49.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -49.62 -48.29 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.46 ' CB ' ' OD1' ' A' ' 195' ' ' ASN . 20.6 t -56.12 -35.64 67.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -56.69 -46.77 81.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 33.7 m -62.97 -42.64 99.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.917 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -64.58 -34.96 73.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.492 HD11 ' HG2' ' A' ' 214' ' ' MET . 0.1 OUTLIER -69.86 -34.23 73.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 -179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -66.61 -39.95 88.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -75.8 -26.64 57.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.3 OUTLIER -64.96 -86.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.255 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 179.82 149.94 8.82 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 57.73 4.64 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 149.14 45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 213' ' ' GLU . . . -80.04 161.81 25.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 0.823 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 14.2 t -92.03 160.56 15.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.745 ' C ' HD13 ' A' ' 211' ' ' LEU . 0.4 OUTLIER -47.55 -39.98 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.425 ' N ' HD13 ' A' ' 211' ' ' LEU . 0.1 OUTLIER -62.59 -37.46 86.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.739 ' HB3' ' HB1' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -68.53 -46.79 68.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.63 1.206 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.492 ' HG2' HD11 ' A' ' 202' ' ' LEU . 22.0 mtt -63.82 -41.9 97.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.482 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.6 OUTLIER -67.76 -34.96 77.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.073 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.943 ' HB2' HD11 ' A' ' 205' ' ' LEU . . . -71.44 -36.95 71.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.561 ' O ' HG12 ' A' ' 221' ' ' VAL . 33.0 t -61.47 -46.22 90.97 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -28.96 69.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -73.41 -27.51 67.65 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -48.3 137.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 0.75 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 71.88 165.87 7.8 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -37.69 98.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.0 170.53 20.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -145.24 47.11 0.76 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -165.11 100.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.51 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -56.22 98.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.379 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 227' ' ' LYS . . . -40.21 -60.14 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.7 153.98 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 91.3 t -83.74 117.24 29.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.598 0.237 . . . . 0.0 110.453 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.731 ' C ' HG21 ' A' ' 171' ' ' THR . 3.1 t -121.04 107.64 12.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.758 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.7 mm -81.89 -17.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.202 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.37 -31.83 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.73 -20.15 63.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -78.01 70.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.26 159.51 17.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.432 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.8 pt20 -91.89 96.9 10.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.55 -149.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -81.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -74.24 -15.94 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.87 111.42 1.89 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 163.33 35.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.942 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.3 t80 -69.62 -27.95 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -62.6 -46.95 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.42 -32.56 71.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 4.0 t80 -67.8 -39.07 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.53 -46.08 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -58.77 -42.2 88.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -66.43 -42.52 87.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.638 ' CA ' HG21 ' A' ' 153' ' ' ILE . 56.0 t80 -59.96 -47.19 86.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.715 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -74.28 -22.25 59.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -73.31 -44.53 58.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.372 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.758 ' HB ' HD13 ' A' ' 150' ' ' ILE . 52.7 m -74.0 -34.61 64.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.776 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.1 OUTLIER -56.37 -40.07 73.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -25.45 63.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -101.15 16.34 25.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.0 OUTLIER -149.89 43.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.087 . . . . 0.0 110.344 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 177' ' ' ALA . 63.0 tp60 -37.37 155.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 176' ' ' GLN . . . -38.63 155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.39 173.08 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -65.66 -18.76 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -129.12 25.14 5.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.34 -44.33 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.405 ' HG3' ' HB1' ' A' ' 177' ' ' ALA . 0.3 OUTLIER -54.26 -23.83 16.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.369 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -76.79 -31.98 57.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.2 106.7 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.383 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.723 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -59.72 115.51 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.9 p -43.15 -56.25 3.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.48 -37.36 48.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.723 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.7 OUTLIER -67.36 -32.85 74.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.19 -46.06 36.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.571 ' CD2' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -55.28 -44.49 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.377 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.671 HG13 HD13 ' A' ' 202' ' ' LEU . 69.1 t -75.92 -46.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 188' ' ' THR . 1.8 tp60 -57.77 -43.09 85.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 36.8 t30 -78.14 0.97 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 191' ' ' VAL . . . -93.48 157.48 16.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.388 1.055 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -47.04 172.27 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.22 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.388 1.73 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.425 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.15 -52.99 30.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 33.9 t -53.36 -38.1 62.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.273 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -58.01 -43.41 86.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 93.1 m -64.74 -40.29 95.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.493 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.654 HG22 ' HB1' ' A' ' 217' ' ' ALA . 1.0 OUTLIER -63.59 -43.76 98.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.291 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.671 HD13 HG13 ' A' ' 191' ' ' VAL . 0.5 OUTLIER -69.22 -26.78 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -39.81 66.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.377 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.4 41.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 1.036 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -81.77 -53.67 6.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.502 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 149.11 132.12 2.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.463 1.102 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.64 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 168.92 39.2 0.02 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.408 1.068 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 1.036 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -81.17 159.9 24.5 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.45 0.735 . . . . 0.0 109.284 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 214' ' ' MET . 8.9 t -89.91 -171.14 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.417 ' N ' ' OG1' ' A' ' 210' ' ' THR . 0.1 OUTLIER -64.89 -48.51 73.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.21 -44.34 95.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.6 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -68.91 -46.01 69.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.571 ' CE ' ' CD2' ' A' ' 190' ' ' LEU . 39.2 mtp -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.583 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 17.0 ttt -70.85 -33.28 70.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -39.9 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.654 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.41 -41.41 69.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.497 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.8 t -62.33 -40.07 95.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.263 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.91 -26.51 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -75.92 -27.85 61.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 218' ' ' CYS . 0.8 OUTLIER -44.73 124.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 0.731 . . . . 0.0 109.287 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.96 165.94 3.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.557 1.16 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -159.15 -83.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 112.67 3.62 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 175.99 84.97 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -69.19 95.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 109.581 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 1.3 mptm? -70.66 167.25 19.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.201 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.64 151.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 230' ' ' VAL . 0.1 OUTLIER 179.76 114.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.271 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 229' ' ' ARG . 8.4 p 38.01 41.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.588 1.18 . . . . 0.0 109.231 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 148' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.45 ' O ' HD13 ' A' ' 153' ' ' ILE . 33.3 t -100.24 175.39 5.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.99 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.787 HD13 ' HB ' ' A' ' 171' ' ' THR . 4.7 mm -71.62 -18.24 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.54 -29.22 68.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 153' ' ' ILE . 12.0 t70 -72.48 -14.43 61.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.228 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.854 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -84.52 106.35 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.479 ' HA ' ' CE1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -144.37 153.46 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 2.1 pt20 -83.26 94.8 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -53.78 -174.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -66.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -75.43 -17.6 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -72.42 127.18 90.47 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 170.33 20.64 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 77.1 t80 -70.32 -31.96 69.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -60.77 -45.9 92.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.09 -35.09 79.05 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 6.9 t80 -66.07 -40.25 90.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 211' ' ' LEU . 18.3 t -69.73 -40.65 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.71 -46.21 84.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -43.02 94.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.854 ' CA ' HG21 ' A' ' 153' ' ' ILE . 52.5 t80 -58.62 -46.74 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.963 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.44 -21.38 58.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -72.74 -43.93 62.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.787 ' HB ' HD13 ' A' ' 150' ' ' ILE . 86.5 m -73.74 -40.39 63.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.963 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.7 -44.68 86.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.408 ' N ' ' HG ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -71.41 -5.99 36.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -95.67 -24.53 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 174' ' ' ALA . 0.8 OUTLIER 160.72 54.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.0 OUTLIER -37.88 154.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.343 1.027 . . . . 0.0 110.272 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -148.18 98.33 2.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 181' ' ' VAL . 0.5 OUTLIER -122.6 128.98 51.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.39 -12.6 61.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 184' ' ' ALA . 1.0 OUTLIER -134.13 51.78 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 178' ' ' SER . 40.9 t -56.66 -34.26 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -42.03 64.95 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.542 1.152 . . . . 0.0 109.34 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 0.3 OUTLIER -99.51 -11.03 21.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 183' ' ' ASN . . . 70.79 97.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -94.26 26.77 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.708 HG22 ' N ' ' A' ' 187' ' ' GLU . 0.9 OUTLIER -62.36 -79.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.797 ' O ' HG23 ' A' ' 191' ' ' VAL . 0.2 OUTLIER -47.84 -30.24 3.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.411 ' N ' ' HG2' ' A' ' 187' ' ' GLU . 0.3 OUTLIER -71.03 -34.44 71.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 186' ' ' THR . 1.0 OUTLIER -73.34 -46.27 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.634 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.5 OUTLIER -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 187' ' ' GLU . 85.1 t -68.56 -45.6 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -38.17 89.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 153' ' ' ILE . 12.9 t-20 -88.27 9.84 21.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.92 158.1 15.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.649 1.218 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -50.52 176.62 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -75.05 -51.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 221' ' ' VAL . 0.4 OUTLIER -51.1 -54.9 20.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 202' ' ' LEU . 21.8 t -54.93 -39.86 69.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -47.06 85.49 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.4 m -61.5 -41.21 96.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.85 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -63.96 -44.65 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.569 HD13 HG13 ' A' ' 191' ' ' VAL . 0.4 OUTLIER -68.53 -23.06 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.391 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.46 -52.21 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.14 -18.01 61.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 1.03 HD21 ' CB ' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -80.66 -68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.357 179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.615 ' N ' HD23 ' A' ' 205' ' ' LEU . . . 160.94 133.1 1.42 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.19 4.15 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 171.12 38.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 1.03 ' CB ' HD21 ' A' ' 205' ' ' LEU . . . -81.02 159.8 24.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 213' ' ' GLU . 10.1 t -90.17 155.94 18.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.664 HD11 HG11 ' A' ' 165' ' ' VAL . 8.3 tt -41.3 -34.08 0.46 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.69 -46.9 51.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.233 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.84 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.5 OUTLIER -70.11 -37.01 75.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.458 ' HG2' ' HB3' ' A' ' 209' ' ' ALA . 4.9 mtm -64.36 -47.16 80.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.591 1.182 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.0 ptt? -70.01 -29.85 67.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 215' ' ' MET . 0.9 OUTLIER -67.12 -40.08 86.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.354 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.85 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.79 -42.76 66.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.529 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.9 t -59.88 -38.75 83.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 108.273 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -25.68 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.85 -25.46 64.63 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.0 OUTLIER -47.98 149.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -57.16 -165.9 0.07 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 88.94 -119.86 5.55 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.99 17.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.76 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 77.89 143.61 2.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.09 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -158.58 147.19 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.598 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -175.39 -65.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.65 173.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.596 1.185 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.64 130.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 11.8 p -64.36 154.44 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.832 ' C ' HG21 ' A' ' 171' ' ' THR . 7.8 t -109.74 79.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.918 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.55 -13.21 9.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -19.24 65.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.594 ' HA ' HH21 ' A' ' 154' ' ' ARG . 4.8 t0 -89.74 -15.09 33.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.687 HG21 ' CA ' ' A' ' 168' ' ' PHE . 0.6 OUTLIER -68.63 116.51 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 109.225 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.594 HH21 ' HA ' ' A' ' 152' ' ' ASP . 19.1 ptp180 -148.29 163.03 38.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 3.9 pt20 -92.99 95.21 9.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -55.31 -178.01 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.541 1.811 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -78.94 -15.64 58.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -77.54 129.26 77.65 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.94 38.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 74.6 t80 -65.96 -28.75 69.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -45.36 87.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.83 -37.71 86.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 154' ' ' ARG . 4.9 t80 -65.56 -42.69 91.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.2 t -65.93 -42.85 92.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -57.56 -42.15 82.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.07 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.72 -44.45 90.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.918 ' CE2' HD11 ' A' ' 150' ' ' ILE . 50.8 t80 -58.55 -47.04 85.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.648 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.25 -20.94 58.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.53 63.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.832 HG21 ' C ' ' A' ' 149' ' ' SER . 33.8 m -73.56 -40.05 64.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.5 -45.08 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.256 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -10.21 59.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.211 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -74.34 -21.01 59.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.594 1.184 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 177' ' ' ALA . 0.6 OUTLIER -164.88 39.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 176' ' ' GLN . 5.1 pt20 -38.26 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -178.81 156.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.5 t -171.33 160.26 6.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.78 -13.04 40.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.04 70.1 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.622 ' HA ' ' HB3' ' A' ' 184' ' ' ALA . 59.0 t -60.02 -38.69 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -54.62 -47.92 72.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.89 -17.82 52.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.622 ' HB3' ' HA ' ' A' ' 181' ' ' VAL . . . -72.98 140.32 47.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.223 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.5 ' HB1' ' HB ' ' A' ' 188' ' ' THR . . . -119.01 97.88 5.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.182 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 2.1 p -57.33 -53.92 52.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 191' ' ' VAL . 2.3 tp10 -52.65 -44.22 66.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.5 ' HB ' ' HB1' ' A' ' 185' ' ' ALA . 0.4 OUTLIER -62.37 -35.2 78.4 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 193' ' ' ASN . 4.0 mt -67.26 -46.63 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -58.4 -43.68 88.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 187' ' ' GLU . 62.0 t -65.73 -47.57 85.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -64.56 -39.1 93.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 29.9 t-20 -88.19 10.84 18.09 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -102.53 166.71 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.19 166.68 0.64 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.41 -44.81 62.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.494 ' SG ' HD13 ' A' ' 202' ' ' LEU . 19.5 t -54.24 -36.94 64.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -58.62 -46.98 85.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 88.2 m -62.14 -41.13 97.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.966 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.66 -40.88 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.503 ' CD2' HG22 ' A' ' 191' ' ' VAL . 6.3 mp -72.18 -22.31 61.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -44.37 46.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.75 -23.19 45.53 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.1 OUTLIER -74.57 -73.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.838 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -176.19 137.34 3.62 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.588 1.18 . . . . 0.0 111.003 -179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 56.89 4.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 129.41 48.62 0.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.855 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.07 168.53 19.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.81 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 211' ' ' LEU . 1.2 tm? -58.7 -59.29 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.4 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.435 ' HA ' ' CG ' ' A' ' 215' ' ' MET . 1.8 mp0 -49.17 -31.67 8.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.744 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.6 OUTLIER -72.78 -45.62 57.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.414 ' SD ' HD21 ' A' ' 202' ' ' LEU . 0.0 OUTLIER -63.28 -45.78 89.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 111.009 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.603 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.0 OUTLIER -70.57 -30.85 67.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . 0.445 ' N ' ' SD ' ' A' ' 215' ' ' MET . 1.2 m -66.05 -40.4 90.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.966 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.07 -44.0 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.536 ' O ' HG12 ' A' ' 221' ' ' VAL . 5.6 t -59.35 -39.04 81.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -61.94 -26.23 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.01 -22.63 68.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 218' ' ' CYS . 2.2 p -44.09 155.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -58.77 -165.96 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . 0.418 ' N ' ' HD3' ' A' ' 224' ' ' PRO . . . 39.3 63.37 1.14 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 223' ' ' GLY . 18.5 Cg_endo -75.03 68.88 5.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 37.81 -109.28 0.09 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.425 1.078 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.1 67.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.562 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 26.5 mttp -70.27 177.33 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.63 -61.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.33 143.94 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.61 133.91 30.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.434 -0.209 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.699 ' C ' HG21 ' A' ' 171' ' ' THR . 9.2 t -107.55 65.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.843 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -66.41 -14.24 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.58 -21.19 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.35 -18.95 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.069 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.7 OUTLIER -67.5 108.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.6 168.64 19.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.572 ' HG3' ' CD2' ' A' ' 164' ' ' TYR . 60.0 mt-30 -82.49 94.1 7.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.232 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.5 173.17 7.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.421 1.075 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -66.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -10.68 59.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -85.2 127.85 62.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.1 17.03 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 71.0 t80 -70.33 -32.89 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.957 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.79 -45.31 94.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.6 -35.76 80.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 155' ' ' GLN . 9.8 t80 -65.36 -42.4 92.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.3 -44.25 91.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.361 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -57.61 -41.89 82.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.472 ' CG ' HG13 ' A' ' 153' ' ' ILE . 1.5 tpp180 -64.68 -42.91 95.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.843 ' CE2' HD11 ' A' ' 150' ' ' ILE . 49.1 t80 -58.39 -47.43 83.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.578 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.9 m-85 -76.08 -21.52 56.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -44.12 63.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.699 HG21 ' C ' ' A' ' 149' ' ' SER . 10.1 m -74.0 -37.82 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -63.03 -43.71 97.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -75.85 -2.04 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -84.84 -17.48 37.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' ALA . 6.8 tt0 179.08 51.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 110.255 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 175' ' ' GLU . 0.8 OUTLIER -38.45 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . -176.76 163.2 2.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.456 ' N ' HG23 ' A' ' 181' ' ' VAL . 0.3 OUTLIER 179.3 172.18 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.88 -15.14 19.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.45 72.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 178' ' ' SER . 25.6 t -66.62 -43.03 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -55.48 -46.74 76.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -72.9 -31.6 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' VAL . . . -80.52 158.33 25.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.231 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.963 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -130.74 143.32 50.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.773 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.9 OUTLIER -66.01 -43.03 88.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.384 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.831 ' O ' HG23 ' A' ' 191' ' ' VAL . 4.2 tm-20 -68.76 -36.51 78.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.963 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.6 OUTLIER -69.53 -41.46 75.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -69.31 -46.53 66.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.398 1.061 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 2.2 tp -57.1 -44.08 82.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.607 1.192 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 1.025 HG22 HD23 ' A' ' 202' ' ' LEU . 81.7 t -66.85 -47.14 83.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -63.63 -38.23 90.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 17.9 t-20 -89.08 14.14 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -106.3 159.74 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.422 1.076 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 194' ' ' ALA . 1.0 OUTLIER -45.21 168.84 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.97 -45.68 64.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 27.7 t -54.69 -36.62 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -58.2 -45.13 88.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.9 m -63.82 -41.46 97.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 1.075 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.6 OUTLIER -63.67 -43.48 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.18 -179.891 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.025 HD23 HG22 ' A' ' 191' ' ' VAL . 0.3 OUTLIER -70.33 -26.48 63.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -42.15 76.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -81.65 -20.37 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.994 HD13 ' HB2' ' A' ' 217' ' ' ALA . 5.6 tp -59.12 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 172.86 145.32 4.96 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.395 1.06 . . . . 0.0 110.992 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.27 4.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 141.25 45.02 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.56 ' HB3' HD23 ' A' ' 205' ' ' LEU . . . -79.97 161.87 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 4.7 t -79.3 -177.49 5.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.403 1.064 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 211' ' ' LEU . 0.9 OUTLIER -68.34 -51.88 39.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.21 -35.07 48.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.578 ' HG3' HD11 ' A' ' 205' ' ' LEU . 1.1 tp10 -70.41 -45.51 65.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.273 -179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 15.5 mtm -62.29 -42.06 99.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.6 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.3 OUTLIER -70.37 -34.1 72.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 -180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -39.12 89.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.352 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.075 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.17 -40.53 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.44 -45.81 91.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -25.08 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.83 -23.14 64.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.568 1.168 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -44.32 138.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.49 0.759 . . . . 0.0 109.382 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -62.62 -166.4 0.6 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -140.88 -146.06 4.7 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.489 1.784 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -94.61 -62.23 1.04 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.64 118.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.589 0.817 . . . . 0.0 109.628 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -109.37 173.87 6.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.077 . . . . 0.0 109.351 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.74 111.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.391 1.057 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -43.71 125.43 4.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.43 153.43 7.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 171' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.557 0.218 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.858 ' C ' HG21 ' A' ' 171' ' ' THR . 5.1 t -92.94 161.29 14.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.875 HD11 ' CE2' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -89.45 -13.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.555 HD23 ' OG ' ' A' ' 149' ' ' SER . 2.1 pp -68.12 -19.2 64.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -89.15 -15.47 33.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.613 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 0.6 OUTLIER -67.94 92.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.447 ' C ' ' CE1' ' A' ' 164' ' ' TYR . 1.5 ttt85 -111.48 155.42 23.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 124.383 1.052 . . . . 0.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.552 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 2.9 tt0 -100.66 101.03 11.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -74.53 165.96 54.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.88 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -25.91 59.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.88 135.34 45.48 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.09 39.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 22.6 t80 -66.69 -32.04 73.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 110.986 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -45.78 90.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.64 -35.41 78.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 34.6 t80 -66.86 -40.16 87.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.8 t -70.92 -41.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -57.98 -43.55 86.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -45.85 80.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.875 ' CE2' HD11 ' A' ' 150' ' ' ILE . 53.1 t80 -58.24 -46.94 85.02 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.67 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.5 m-85 -75.41 -21.49 58.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -68.62 -45.21 72.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.858 HG21 ' C ' ' A' ' 149' ' ' SER . 34.4 m -75.09 -41.3 59.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -58.06 -50.12 74.55 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.413 ' N ' HD12 ' A' ' 172' ' ' LEU . 2.8 mtt-85 -65.32 -16.36 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 175' ' ' GLU . . . -85.05 -31.54 23.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 174' ' ' ALA . 0.4 OUTLIER 162.79 53.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.452 ' CA ' ' HA ' ' A' ' 172' ' ' LEU . 0.6 OUTLIER -39.14 106.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -145.82 151.74 38.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.396 1.06 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.82 ' O ' HG23 ' A' ' 181' ' ' VAL . 0.3 OUTLIER -163.04 149.35 12.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.44 -13.14 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.36 53.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 178' ' ' SER . 61.9 t -64.1 -43.8 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -74.96 -36.69 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.1 -1.98 35.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.601 ' HA ' HG21 ' A' ' 188' ' ' THR . . . -160.51 97.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -58.31 166.32 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 89.6 m -52.16 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.475 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 2.8 tt0 -50.16 -32.16 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.411 1.069 . . . . 0.0 110.231 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.601 HG21 ' HA ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -70.06 -30.99 68.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.9 mt -72.34 -46.49 55.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.4 OUTLIER -59.59 -44.46 93.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.839 HG13 HD13 ' A' ' 202' ' ' LEU . 42.3 t -67.86 -46.51 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.29 -38.18 90.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.229 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 189' ' ' LEU . 20.1 t-20 -86.22 7.46 25.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.181 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -93.53 155.62 17.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.457 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.1 m-20 -48.36 175.67 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.4 Cg_endo -75.07 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -51.19 57.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.77 -37.32 65.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -58.18 -47.33 83.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 92.7 m -62.53 -40.14 95.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 1.112 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.4 OUTLIER -68.51 -32.08 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.839 HD13 HG13 ' A' ' 191' ' ' VAL . 1.7 mt -72.09 -31.91 66.52 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.464 1.103 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -72.75 -44.22 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -76.67 -19.19 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.966 HD21 ' HB3' ' A' ' 209' ' ' ALA . 0.0 OUTLIER -73.52 -76.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.767 ' H ' HD23 ' A' ' 205' ' ' LEU . . . -178.64 138.0 3.46 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.43 1.081 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.02 4.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 135.2 43.73 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.966 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.61 166.9 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.6 HG23 ' HG3' ' A' ' 212' ' ' GLU . 0.8 OUTLIER -75.65 175.13 8.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 110.377 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.461 ' N ' ' OG1' ' A' ' 210' ' ' THR . 2.7 tm? -59.21 -58.3 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.6 ' HG3' HG23 ' A' ' 210' ' ' THR . 0.0 OUTLIER -46.72 -31.21 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.314 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.581 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.9 OUTLIER -75.02 -44.76 46.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.475 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 43.6 mtm -62.71 -40.55 97.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.57 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 4.3 ttp -73.33 -34.47 65.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.616 1.198 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -39.61 94.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.07 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.112 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.45 -46.34 55.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 6.3 t -56.38 -41.26 75.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.615 1.197 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -24.79 67.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.0 59.49 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.81 158.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.479 0.752 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -61.78 -166.1 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -136.4 136.71 8.56 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.09 25.61 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -155.92 121.62 1.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.608 1.192 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . 0.51 ' CE1' ' O ' ' A' ' 227' ' ' LYS . 0.5 OUTLIER -171.1 173.32 5.06 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.506 0.768 . . . . 0.0 109.586 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.51 ' O ' ' CE1' ' A' ' 226' ' ' HIS . 0.0 OUTLIER -60.54 163.47 5.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.6 97.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.12 145.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 8.3 p -97.96 155.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.937 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 148' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.739 ' O ' HG21 ' A' ' 171' ' ' THR . 6.4 t -88.7 -178.95 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.956 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.817 HD13 ' CG2' ' A' ' 171' ' ' THR . 9.9 mm -85.21 -22.03 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -30.19 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -70.23 -17.36 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.855 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -83.4 105.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.403 1.064 . . . . 0.0 109.385 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.473 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -137.37 164.72 27.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.098 . . . . 0.0 110.349 -179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 164' ' ' TYR . 1.0 OUTLIER -107.58 98.39 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -66.81 172.87 28.08 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.88 0.38 Allowed 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.434 1.755 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -82.82 -21.79 34.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.9 137.57 46.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 156.97 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.568 1.825 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 69.6 t80 -68.02 -33.4 74.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -45.56 94.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 155' ' ' GLN . 8.3 t80 -65.12 -44.07 89.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.9 t -63.93 -42.62 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.64 -44.47 85.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -43.01 96.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.855 ' CA ' HG21 ' A' ' 153' ' ' ILE . 50.9 t80 -58.62 -47.02 85.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.977 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.8 m-85 -75.52 -21.14 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.8 -44.15 61.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.817 ' CG2' HD13 ' A' ' 150' ' ' ILE . 76.0 m -73.86 -39.38 64.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 169' ' ' TYR . 0.2 OUTLIER -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -75.65 -11.13 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -74.92 -16.92 60.64 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 174' ' ' ALA . 1.9 mt-10 176.31 55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.482 ' O ' HD12 ' A' ' 172' ' ' LEU . 1.9 tt0 179.29 148.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.49 70.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.232 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.805 ' HA ' HG23 ' A' ' 181' ' ' VAL . 7.8 t 65.73 32.23 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.392 1.058 . . . . 0.0 109.932 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -20.02 60.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -178.37 44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.805 HG23 ' HA ' ' A' ' 178' ' ' SER . 18.0 t -55.6 -41.24 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.453 1.095 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -23.49 16.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -92.95 -25.12 18.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -149.01 92.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.812 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -61.12 108.38 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.2 p -41.12 -58.64 1.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.167 . . . . 0.0 110.322 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -38.69 39.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.234 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.812 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.09 -34.28 77.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.417 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 193' ' ' ASN . 2.5 mp -72.01 -46.44 57.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.1 tp -57.73 -43.56 85.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 202' ' ' LEU . 47.2 t -68.71 -47.21 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -38.13 89.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 35.6 t-20 -86.83 10.03 17.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -98.21 155.05 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.2 OUTLIER -46.32 171.96 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.41 -47.57 62.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 22.6 t -55.12 -37.35 66.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.35 -46.64 85.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 98.8 m -62.4 -41.09 98.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 1.075 HG22 ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.53 -41.97 93.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 191' ' ' VAL . 91.9 mt -70.05 -24.55 63.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.198 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -74.34 -51.51 14.93 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -72.2 -19.01 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.893 HD11 ' CG ' ' A' ' 213' ' ' GLU . 0.2 OUTLIER -77.54 -78.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.762 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -167.89 131.8 2.42 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.107 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.22 4.19 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 136.35 43.83 0.1 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.77 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.6 168.21 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.9 t -69.96 179.02 2.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -54.81 28.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.417 1.073 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -33.56 31.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.893 ' CG ' HD11 ' A' ' 205' ' ' LEU . 1.1 tt0 -69.25 -45.84 68.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -39.09 93.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.2 OUTLIER -72.73 -32.36 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -40.54 88.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.075 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -71.84 -43.6 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . . . . . . . . . 5.7 t -59.09 -38.41 79.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.269 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -24.71 67.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.616 1.198 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -79.0 -26.35 58.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -40.8 154.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -62.96 -165.98 0.62 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -164.06 -157.09 9.18 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 74.26 4.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.798 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -86.68 -58.6 1.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -146.95 61.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.567 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.1 OUTLIER -72.17 80.38 0.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.377 1.048 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.6 138.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.384 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.68 124.28 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 171' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.571 0.224 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.81 ' C ' HG21 ' A' ' 171' ' ' THR . 9.0 t -88.96 178.75 6.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.4 1.063 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.676 HD13 ' CG2' ' A' ' 171' ' ' THR . 3.0 mm -84.82 -21.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.062 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.659 HD23 ' OG ' ' A' ' 149' ' ' SER . 0.7 OUTLIER -62.74 -35.18 78.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.89 -22.47 67.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.856 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -81.21 96.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 164' ' ' TYR . 33.7 ptt180 -125.63 167.57 14.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 1.9 tt0 -108.08 102.68 11.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -87.41 169.23 39.23 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.448 1.092 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -40.39 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.424 1.749 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -81.05 -24.59 37.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.419 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 9.2 tt0 -84.87 133.8 42.79 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.5 Cg_endo -74.98 155.73 43.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 40.1 t80 -66.79 -34.56 78.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -60.75 -46.01 92.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -33.38 74.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.581 ' CD2' ' HB2' ' A' ' 155' ' ' GLN . 13.3 t80 -67.63 -42.04 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.5 t -66.93 -42.92 89.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.393 1.058 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.63 -44.63 85.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -44.43 93.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.856 ' CA ' HG21 ' A' ' 153' ' ' ILE . 48.4 t80 -58.4 -47.09 85.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.79 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.7 m-85 -75.15 -20.81 59.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -72.34 -45.25 60.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.81 HG21 ' C ' ' A' ' 149' ' ' SER . 23.7 m -74.3 -37.99 63.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.06 -44.35 82.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -85.83 5.83 30.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.33 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -94.51 -21.64 18.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 176' ' ' GLN . 0.2 OUTLIER -170.01 45.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 175' ' ' GLU . 3.2 tt0 -38.04 99.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . -179.46 146.08 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.12 171.63 12.16 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.158 . . . . 0.0 109.997 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.93 -15.64 13.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 184' ' ' ALA . 0.1 OUTLIER 177.83 74.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.256 -179.899 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.58 -45.1 96.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.215 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -58.51 -52.33 66.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.162 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.99 -32.04 73.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 180' ' ' GLU . . . -79.8 157.29 27.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.906 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -115.93 113.17 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.3 t -43.81 -48.99 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.62 -37.1 77.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.906 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -66.38 -32.11 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.409 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 193' ' ' ASN . 0.9 OUTLIER -72.34 -46.95 53.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 1.8 tp -58.43 -44.36 89.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.91 HG22 ' CD2' ' A' ' 202' ' ' LEU . 49.2 t -68.26 -45.79 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -64.13 -37.92 89.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 0.1 OUTLIER -85.28 3.17 40.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -97.06 159.75 14.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 194' ' ' ALA . 0.9 OUTLIER -42.73 165.01 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.608 1.846 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -51.79 -44.96 63.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.822 ' HA ' HD12 ' A' ' 201' ' ' ILE . 23.7 t -53.53 -35.4 60.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 108.285 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -43.95 76.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 89.2 m -69.44 -34.43 74.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 1.076 HG22 ' HB1' ' A' ' 217' ' ' ALA . 44.9 mt -63.16 -41.79 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.211 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.91 ' CD2' HG22 ' A' ' 191' ' ' VAL . 5.7 mp -72.26 -34.22 68.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.16 -34.55 77.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.236 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -85.79 -22.0 27.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.876 HD23 ' N ' ' A' ' 206' ' ' GLY . 0.0 OUTLIER -81.02 -69.18 0.62 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . 0.876 ' N ' HD23 ' A' ' 205' ' ' LEU . . . -178.97 129.09 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.16 4.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.82 43.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.398 1.061 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.643 ' HB3' HD21 ' A' ' 205' ' ' LEU . . . -80.93 171.38 15.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 0.702 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 10.9 t -74.92 156.5 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.33 -43.31 10.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.81 -44.8 86.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.23 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.697 ' CG ' HD11 ' A' ' 205' ' ' LEU . 0.8 OUTLIER -66.03 -42.25 89.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 3.2 mmm -61.76 -39.92 93.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.597 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 0.9 OUTLIER -71.05 -34.16 70.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 0.0 110.951 -179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.4 -39.39 92.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 1.076 ' HB1' HG22 ' A' ' 201' ' ' ILE . . . -72.06 -43.05 65.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.537 ' HG ' ' HD1' ' A' ' 161' ' ' PHE . 6.9 t -59.67 -44.94 93.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 108.359 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -25.28 67.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -77.82 -23.89 65.87 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.449 1.093 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.518 HG23 ' CD1' ' A' ' 201' ' ' ILE . 0.8 OUTLIER -46.65 130.26 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.355 0.679 . . . . 0.0 109.356 179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . 67.72 166.09 3.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -177.66 -82.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 95.81 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 178.41 -136.15 2.86 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.411 1.069 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.64 152.31 43.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.806 . . . . 0.0 109.663 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.7 OUTLIER -153.54 106.1 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.49 169.41 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.389 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.71 123.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.211 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 97.7 t -64.89 142.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 109.317 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.921 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 171' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.671 ' C ' HG21 ' A' ' 171' ' ' THR . 28.1 t -81.87 177.8 8.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.051 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.904 HD13 ' HB ' ' A' ' 171' ' ' THR . 3.6 mm -74.72 -19.87 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.2 -36.54 83.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.48 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -79.01 66.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -107.27 167.17 10.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.8 94.45 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.371 1.044 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -68.37 -169.49 5.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -78.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -9.26 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.45 112.88 10.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.281 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 172.83 15.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.037 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 20.2 t80 -69.43 -34.51 74.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -45.86 92.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.34 -32.96 74.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.505 ' HE1' HD12 ' A' ' 190' ' ' LEU . 3.5 t80 -68.43 -44.58 74.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.34 -46.06 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.95 -43.36 91.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.483 ' CG ' HG13 ' A' ' 153' ' ' ILE . 3.6 tpt180 -65.15 -43.43 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.723 ' CE1' HG23 ' A' ' 186' ' ' THR . 48.4 t80 -58.38 -47.38 84.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.775 ' HA ' HD23 ' A' ' 172' ' ' LEU . 4.6 m-85 -74.85 -21.37 59.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -72.97 -44.65 60.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.904 ' HB ' HD13 ' A' ' 150' ' ' ILE . 54.3 m -74.24 -37.68 63.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 110.484 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.832 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.0 -49.17 76.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.518 ' N ' HD12 ' A' ' 172' ' ' LEU . 5.9 mtp180 -70.01 -6.05 30.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -77.8 -16.74 58.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.63 47.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 179.59 120.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -129.62 69.07 1.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.847 ' HA ' HG23 ' A' ' 181' ' ' VAL . 13.5 t 60.74 33.26 20.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.995 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.8 -13.0 60.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER 170.28 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.847 HG23 ' HA ' ' A' ' 178' ' ' SER . 55.1 t -52.2 -39.89 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -62.73 -57.86 9.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.91 -20.88 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 180' ' ' GLU . . . -91.63 150.38 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.965 ' HB1' ' HB ' ' A' ' 188' ' ' THR . . . -119.79 88.85 3.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.723 HG23 ' CE1' ' A' ' 168' ' ' PHE . 0.8 OUTLIER -72.67 -43.89 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.461 ' OE1' ' CE ' ' A' ' 214' ' ' MET . 1.0 OUTLIER -68.84 -38.37 79.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.965 ' HB ' ' HB1' ' A' ' 185' ' ' ALA . 0.3 OUTLIER -65.39 -47.03 77.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.611 1.194 . . . . 0.0 110.452 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 193' ' ' ASN . 3.8 mt -67.62 -45.83 74.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.7 OUTLIER -52.81 -41.84 64.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.921 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 1.1 HG22 HD13 ' A' ' 202' ' ' LEU . 24.4 t -73.51 -51.81 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -38.83 76.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 189' ' ' LEU . 5.6 t-20 -86.55 11.99 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -105.72 162.63 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -48.25 170.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -50.71 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.761 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 201' ' ' ILE . 0.4 OUTLIER -50.59 -52.21 41.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.4 t -54.04 -38.09 64.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -58.25 -43.97 88.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.39 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 73.6 m -65.23 -41.49 94.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.968 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 0.5 OUTLIER -64.19 -37.31 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.429 1.081 . . . . 0.0 109.366 179.927 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.1 HD13 HG22 ' A' ' 191' ' ' VAL . 5.6 mt -72.06 -31.82 66.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -68.1 -38.4 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.61 -29.24 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' A' ' 217' ' ' ALA . 0.2 OUTLIER -61.76 -85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 178.95 155.24 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 56.58 4.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 137.02 52.67 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.531 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -79.44 163.03 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.9 OUTLIER -67.97 150.44 48.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.46 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.64 -43.81 62.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.478 ' H ' HG22 ' A' ' 210' ' ' THR . 10.8 tt0 -62.76 -34.29 76.93 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.406 ' CG ' HD21 ' A' ' 205' ' ' LEU . 0.4 OUTLIER -67.01 -45.52 77.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 187' ' ' GLU . 54.9 mtm -61.85 -42.01 98.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.582 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 3.8 ttp -68.26 -34.24 75.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.383 1.052 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -38.09 84.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.968 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.02 -37.86 69.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.675 ' O ' HG12 ' A' ' 221' ' ' VAL . 12.5 t -62.92 -44.37 96.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -26.17 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . -76.25 -26.89 62.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.1 p -51.34 153.07 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -55.57 -165.62 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.438 1.086 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . -144.51 141.77 10.39 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.61 20.03 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -55.62 -176.73 0.21 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -62.87 146.08 53.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 0.741 . . . . 0.0 109.618 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 228' ' ' ALA . 0.0 OUTLIER -163.21 134.04 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.625 1.203 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 227' ' ' LYS . . . 179.64 163.82 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.08 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.85 155.82 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . 0.467 HD23 ' C ' ' A' ' 231' ' ' LEU . 6.1 tt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.232 179.96 . . . . . . . . 1 1 . 1 stop_ save_