data_2lx2_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 2lx2 _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 ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.354 -0.239 . . . . 75.45 110.354 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.18 135.62 57.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 74.12 110.361 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.65 144.3 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 51.1 109.966 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 55' ' ' LEU . 79.0 t -54.62 134.86 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 71.22 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.446 HG22 ' CG1' ' A' ' 27' ' ' VAL . 54.0 t -138.51 123.88 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.15 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.85 99.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 60.44 109.336 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.3 -13.67 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 65.31 109.273 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -154.03 171.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 75.14 109.339 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.95 105.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 75.13 109.337 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.462 HG23 ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -100.6 108.41 53.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 72.2 109.268 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.5 Cg_endo -74.98 173.05 15.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.435 1.755 . . . . 74.52 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 tt -67.58 155.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 73.04 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.46 52.5 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 72.51 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 34.0 m -120.47 119.33 32.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 74.53 110.399 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.17 128.97 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.3 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 82.9 mt -85.26 141.04 30.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 73.41 109.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' CE ' ' A' ' 22' ' ' MET . 31.3 p -129.2 171.98 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 73.53 110.364 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.59 -14.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 71.31 109.284 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.79 10.75 55.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 75.31 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.52 -33.19 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 70.35 111.007 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 18' ' ' THR . 48.1 mtm -97.6 176.85 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 75.22 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -166.28 171.26 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 64.32 110.396 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -112.56 131.68 55.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 64.5 110.393 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.72 144.38 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.33 110.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -78.79 82.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 73.5 109.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -106.87 158.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 72.1 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -128.05 136.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.11 109.997 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.08 153.36 99.01 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 72.21 110.957 0.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 p -66.02 118.45 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.3 110.397 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.422 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -96.55 -149.98 26.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 74.24 110.979 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 55.3 mt -40.79 142.46 0.81 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 74.01 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 150.88 38.68 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 74.12 111.008 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.19 42.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 62.12 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.31 -10.78 59.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 71.44 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -3.81 37.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 72.45 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.564 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.93 -48.87 90.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 75.42 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -8.45 20.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 75.43 111.01 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.0 mtp-105 -97.62 -16.1 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 73.4 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 55' ' ' LEU . 24.4 mt -88.52 -23.73 23.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 72.11 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -56.0 135.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 62.21 109.245 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.71 -11.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 74.25 109.976 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.92 132.98 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.05 111.014 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.72 154.51 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.4 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.9 m -87.21 156.45 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 73.42 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.0 p30 -107.28 32.0 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.31 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.3 tt0 -178.3 155.82 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 72.15 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.5 t -76.53 96.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 65.32 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' ILE . 78.0 t -94.59 115.68 65.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.33 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.71 40.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 73.53 110.99 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.1 ttp -62.2 118.83 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.52 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.44 -14.08 36.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 75.44 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -76.84 117.26 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 74.33 110.401 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.465 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 6.4 m -49.87 138.15 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 72.42 110.333 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 40' ' ' LEU . 5.8 tp -85.43 129.96 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 75.31 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.471 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.2 mmt -108.05 160.88 25.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 75.23 110.981 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.35 110.979 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.07 10.06 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 71.12 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -115.04 14.24 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 54.34 110.954 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 ' CE ' ' A' ' 43' ' ' MET . 56.1 t -133.36 139.47 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 74.42 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 55.5 mttt -87.42 150.38 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 75.14 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.74 18.83 8.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 72.43 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -84.41 173.17 11.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 74.23 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.7 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 53.33 109.293 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.544 1.812 . . . . 64.42 110.966 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.422 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.321 -0.251 . . . . 72.3 110.321 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.11 136.93 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.24 110.285 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.9 143.01 49.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 73.43 109.998 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 55' ' ' LEU . 71.0 t -56.16 134.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.22 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.6 t -137.06 127.62 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 55.41 109.249 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' CB ' HG13 ' A' ' 11' ' ' ILE . . . -53.29 98.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 75.21 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.408 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.21 -13.6 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 43.1 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 25.3 m -153.93 172.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.32 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.39 105.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.13 109.25 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.463 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -101.11 108.07 53.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 75.4 109.287 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 73.4 110.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 tt -68.18 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.42 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.0 p30 40.45 51.19 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.31 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.438 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 42.3 m -120.27 120.29 35.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 75.02 110.385 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 131.22 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 73.44 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 11' ' ' ILE . 79.1 mt -88.21 139.18 30.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 74.24 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' CE ' ' A' ' 22' ' ' MET . 26.1 p -124.72 173.33 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 75.5 110.409 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.37 -13.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.05 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.68 10.79 49.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 74.53 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -114.65 -31.48 6.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 74.52 110.996 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 18' ' ' THR . 52.4 mtm -97.58 176.37 5.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 74.41 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -165.48 169.74 15.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 73.13 110.415 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 34' ' ' ALA . 69.6 p -112.9 128.61 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 64.3 110.393 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 143.03 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 74.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 82.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 72.21 109.284 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.86 158.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 74.31 109.345 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.478 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.8 t -128.0 136.12 28.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 71.41 109.984 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.014 -2.494 . . . . 73.05 111.007 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 p -64.19 118.78 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 71.33 110.421 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.33 25.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 74.03 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 72.8 mt -42.0 142.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 75.33 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 149.16 36.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.572 1.828 . . . . 74.34 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB3' ' CG2' ' A' ' 24' ' ' THR . . . -63.76 -13.14 41.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 72.42 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.64 -10.75 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 75.03 110.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -98.28 -4.69 34.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 73.42 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.562 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.29 -49.15 86.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 73.35 109.309 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -8.39 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 70.34 110.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 9.7 mtp-105 -97.4 -22.96 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 74.12 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 63' ' ' TYR . 30.4 mt -80.57 -22.34 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 74.33 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.69 135.57 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 74.22 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.74 -11.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 75.32 110.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.0 mtm -99.93 134.19 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 74.13 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -93.3 151.93 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.24 110.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 18.7 m -84.67 151.59 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 75.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.9 p30 -102.39 33.78 3.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.23 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.5 tt0 -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 74.25 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.44 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.1 t -76.02 96.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 74.14 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' ILE . 96.2 t -95.26 113.22 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 73.32 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.39 38.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 72.31 111.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.0 ttp -63.34 120.14 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 74.24 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.92 -10.22 44.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 71.21 111.003 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -80.58 115.73 20.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 71.32 110.415 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.471 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 21.2 m -49.73 137.13 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.33 110.415 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 5' ' ' VAL . 5.7 mt -84.04 140.32 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 72.31 109.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.468 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 5.9 mmt -117.39 159.73 40.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 64.24 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -18.81 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 64.52 111.033 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -102.18 9.94 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.12 109.288 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.2 mtm -111.63 9.26 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 73.32 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.28 139.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 74.34 109.295 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 9.7 mttm -87.92 150.17 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 75.32 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.1 16.35 18.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 74.13 111.034 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -82.92 173.07 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 74.13 111.011 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.33 150.5 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 75.25 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 73.2 110.978 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 75.34 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.05 134.24 56.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 75.44 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.37 143.3 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 73.43 109.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG11 ' CD2' ' A' ' 55' ' ' LEU . 66.1 t -54.63 134.93 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.45 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.7 t -137.16 126.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.1 109.285 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.68 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 74.52 109.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.41 -13.44 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 74.44 109.311 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 m -153.35 169.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 71.22 109.362 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.2 tp -66.13 92.62 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.21 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -83.48 113.95 50.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.34 109.333 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.454 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.5 Cg_endo -74.94 172.65 15.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 64.44 111.0 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.3 tt -71.81 150.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 72.21 109.31 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.401 ' ND2' HG12 ' A' ' 13' ' ' ILE . 56.0 m-80 47.3 50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 72.4 109.356 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -124.45 119.37 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 72.43 110.425 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.18 133.93 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 63.3 mt -87.07 143.69 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.33 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.436 ' O ' ' CE ' ' A' ' 22' ' ' MET . 28.8 p -127.7 171.84 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.24 110.423 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -77.87 -13.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 65.43 109.324 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.41 10.81 50.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 71.42 111.03 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.8 mtm -115.69 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 72.44 110.994 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -97.4 176.89 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 71.41 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -166.1 170.83 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 74.25 110.398 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -113.54 128.81 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 75.35 110.402 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.33 144.23 18.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 72.03 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.38 81.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.24 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.4 m -106.52 159.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.4 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.19 135.96 28.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 72.33 110.004 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.01 153.39 99.12 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.997 -2.501 . . . . 74.0 110.975 0.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 p -66.88 118.94 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 73.23 110.415 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.459 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -97.11 -149.59 25.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 63.54 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 57.0 mt -40.48 142.46 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 72.33 109.269 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 151.21 39.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 75.4 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.82 -13.05 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 75.41 109.305 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.84 -10.69 59.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 72.32 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -97.6 -5.4 35.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 74.33 109.298 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.564 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -51.82 -49.07 85.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 74.31 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 71.33 110.932 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.1 mtp-105 -97.49 -19.86 18.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 65.04 110.289 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' CD1' HD22 ' A' ' 55' ' ' LEU . 18.5 mt -84.11 -22.6 31.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 73.24 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.97 135.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 74.21 109.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -10.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.1 109.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -100.03 131.1 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 61.31 110.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.03 157.21 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 74.42 110.356 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 24.4 m -90.11 156.05 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 74.45 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.8 p30 -107.76 31.88 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 75.2 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.4 tt0 -178.64 156.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.44 110.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.7 t -77.71 102.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 75.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.8 114.88 64.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 75.54 109.306 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 138.02 22.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 65.23 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.421 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -43.47 120.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 60.21 110.988 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.39 -6.19 45.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 62.33 111.026 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 7.4 m -83.48 118.03 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 72.44 110.411 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.458 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 5.6 m -49.72 136.47 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 71.31 110.414 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.458 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.5 tp -84.59 130.33 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 64.23 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.468 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.1 mmt -107.79 160.94 24.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 75.4 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.03 -22.36 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 63.42 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 7.69 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 60.4 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.7 mtm -113.18 18.15 18.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 73.11 110.953 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.26 135.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.23 109.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 8.4 mtmm -85.73 148.89 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 75.34 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.11 15.63 22.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 73.33 110.994 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.587 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 17.1 t80 -82.8 172.9 12.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 74.43 111.006 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.587 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 170.73 150.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 65.25 109.268 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 72.25 111.019 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.428 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 74.11 110.287 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.19 140.56 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.34 110.278 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.7 142.85 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 72.51 110.01 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 55' ' ' LEU . 70.3 t -54.66 133.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 74.31 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -137.69 118.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 74.24 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.01 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.54 109.262 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -65.35 -11.82 45.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 70.12 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 33.9 m -155.58 170.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 64.24 109.317 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.5 101.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 72.43 109.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -95.53 111.1 54.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 75.51 109.274 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.473 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.06 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 74.5 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 47' ' ' GLN . 9.0 tt -68.93 154.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 p30 40.89 53.32 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 71.13 109.298 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.2 m -122.96 119.57 30.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 75.31 110.402 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.15 128.76 25.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 65.24 109.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 11' ' ' ILE . 59.6 mt -84.55 143.68 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 71.11 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CE ' ' A' ' 22' ' ' MET . 39.8 p -127.14 175.99 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.44 110.391 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -81.03 -15.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.55 109.322 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.86 10.68 55.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 73.23 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -113.99 -31.78 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 73.33 111.001 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 18' ' ' THR . 57.3 mtm -98.24 173.05 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 75.52 110.977 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 t -163.35 169.45 19.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 74.43 110.4 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -112.05 128.45 56.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.14 110.377 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.2 142.46 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 74.45 110.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 t -75.56 82.55 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.53 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -106.32 160.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 74.4 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -130.62 136.3 28.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 74.2 109.986 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.07 153.45 99.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.011 -2.495 . . . . 64.34 110.989 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 p -64.59 116.89 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 73.45 110.417 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.67 -148.92 24.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 63.04 110.979 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 82.5 mt -40.57 142.41 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 72.41 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 151.12 39.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 44.1 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.54 -13.9 45.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.5 109.334 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.87 -12.97 58.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.23 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.37 -5.58 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 73.53 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -53.66 -48.54 92.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 74.03 109.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -7.48 19.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 63.33 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.41 -19.72 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 73.31 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 63' ' ' TYR . 24.3 mt -84.88 -23.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 74.04 109.244 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -55.37 136.28 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 64.52 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.36 -11.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 62.41 110.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.8 mtm -100.31 133.24 45.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 75.22 111.019 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -91.17 149.46 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 65.34 110.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.6 m -82.36 156.98 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 75.34 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.1 p30 -107.64 30.98 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 73.35 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.6 tt0 -177.06 156.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.32 110.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.4 t -74.78 96.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.01 109.326 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 11' ' ' ILE . 85.1 t -94.2 114.16 62.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.35 109.284 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 163.35 35.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 64.22 111.012 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 9' ' ' VAL . 33.0 ttm -66.18 118.55 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 75.32 111.024 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.79 -14.64 34.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 65.04 111.02 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -74.23 118.76 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 74.11 110.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.9 m -49.77 139.81 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.4 110.396 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.24 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 73.2 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.465 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 15.5 mmt -110.91 157.34 38.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 72.21 110.957 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -23.56 13.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 73.43 111.024 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 14.52 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 74.14 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -116.34 7.0 13.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 71.22 110.986 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -128.01 137.8 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 75.05 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 15.3 mtmt -85.0 149.17 25.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 73.25 109.268 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.73 17.35 14.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 72.52 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.4 t80 -82.81 173.08 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 74.21 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.599 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.74 151.21 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 75.24 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 70.05 111.003 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 70.11 110.271 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.0 139.1 39.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 74.23 110.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.77 143.9 50.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.12 110.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 55' ' ' LEU . 59.4 t -54.72 136.38 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 72.34 109.329 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -139.22 127.29 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 72.42 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.54 99.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 74.5 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.23 -13.53 38.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 65.43 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 33.5 m -156.56 173.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.03 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.36 104.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 73.1 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.458 HG22 ' CE ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -99.88 108.85 53.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 70.03 109.285 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.461 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.95 172.3 16.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 72.13 111.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt -67.43 155.11 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.53 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 p30 41.06 52.48 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 64.13 109.28 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.43 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 47.4 m -120.22 120.21 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 72.11 110.408 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.15 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.24 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 83.1 mt -85.22 140.31 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 73.21 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -127.73 172.19 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 74.12 110.368 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.14 -13.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 73.33 109.282 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.15 10.77 51.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 62.4 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.458 ' CE ' HG22 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.55 -33.71 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.764 . . . . 74.11 110.987 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.7 mtm -97.79 172.89 7.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 74.14 110.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -163.24 170.06 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 70.44 110.419 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.442 HG23 ' CB ' ' A' ' 34' ' ' ALA . 76.9 p -111.42 136.17 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 75.51 110.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 143.31 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.04 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -77.83 81.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 71.54 109.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.2 m -106.43 158.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 74.53 109.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -127.38 135.9 28.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 75.04 109.989 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.977 -2.51 . . . . 72.21 111.023 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 p -67.4 121.17 15.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 72.42 110.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -98.0 -150.14 25.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 71.3 110.99 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 40.2 mt -41.92 142.35 1.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 72.23 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.78 34.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 73.43 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -62.69 -16.95 59.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.41 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.96 -3.18 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 63.13 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.53 -1.79 16.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.24 109.302 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -52.38 -48.23 90.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 73.4 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 73.53 111.027 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -97.56 -26.03 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.31 110.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' CD1' HD21 ' A' ' 55' ' ' LEU . 25.1 mt -77.5 -25.46 50.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 72.5 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.52 136.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 70.22 109.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.83 -11.18 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 73.53 109.984 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.91 129.88 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.44 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.91 156.81 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 75.33 110.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.8 m -89.95 153.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 73.44 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.1 p30 -105.92 32.29 4.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 42.33 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.8 tt0 -178.61 156.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 73.22 110.253 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.4 t -76.22 97.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.45 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 84.3 t -94.94 111.52 54.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 74.32 109.281 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 73.01 111.024 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.5 ttm -53.95 121.43 8.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 72.24 110.966 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -15.52 48.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 51.44 111.033 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.432 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 38.6 m -73.93 114.2 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.777 . . . . 72.22 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.442 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.9 m -49.96 133.21 22.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 74.21 110.442 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.6 tp -81.78 130.2 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 64.23 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.471 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.1 mmt -108.04 161.08 24.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 75.23 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -20.57 16.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 73.43 110.991 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.25 7.25 44.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 64.32 109.296 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.1 mtm -113.0 23.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 74.33 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 98.5 t -140.7 143.52 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 73.23 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.1 mttt -89.81 144.22 26.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 71.41 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.23 28.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 65.42 110.995 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 21.7 t80 -77.07 172.09 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 72.14 111.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.641 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.28 150.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 62.44 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 72.33 110.978 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.427 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.288 -0.264 . . . . 71.01 110.288 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.67 133.68 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 74.13 110.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.88 144.69 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.14 109.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.466 HG12 ' CD2' ' A' ' 55' ' ' LEU . 53.5 t -54.8 136.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 73.53 109.234 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' CG1' ' A' ' 27' ' ' VAL . 59.7 t -140.74 124.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 73.1 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.16 98.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 60.24 109.283 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.16 -13.64 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 75.21 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 36.0 m -154.82 171.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 63.41 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.61 105.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 75.43 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.453 HG23 ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -101.16 107.88 52.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 74.5 109.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.474 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 60.44 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.5 tt -69.43 151.62 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 74.34 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.477 HD21 ' NZ ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 47.9 48.02 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.43 109.314 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.425 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 53.4 m -119.27 118.56 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 74.33 110.358 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.58 130.28 31.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.11 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 80.5 mt -83.5 141.37 31.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 74.41 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 p -129.4 171.71 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 74.15 110.368 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.25 -15.17 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 74.14 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.49 10.7 56.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.091 . . . . 75.14 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.34 -33.33 4.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 74.21 111.001 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.0 mtm -97.33 175.01 6.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.4 110.972 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.402 ' HB ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 t -165.41 169.66 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 74.22 110.403 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.447 HG22 ' CB ' ' A' ' 34' ' ' ALA . 71.9 p -111.72 131.15 55.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 75.22 110.38 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.14 147.39 17.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 75.04 110.269 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 t -81.07 81.09 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 75.31 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG1' HG23 ' A' ' 6' ' ' VAL . 3.3 m -106.46 158.62 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 74.54 109.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.0 t -128.11 136.06 28.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.13 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.95 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.026 -2.489 . . . . 63.35 111.038 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 p -66.71 119.19 11.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.53 110.397 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.13 -149.37 25.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 71.14 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 41.5 mt -42.01 142.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 74.42 109.259 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 148.57 35.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 71.04 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' CB ' HG22 ' A' ' 24' ' ' THR . . . -63.35 -15.29 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 74.33 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.33 -6.75 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 75.51 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -106.22 -2.65 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 73.4 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.3 mt -52.49 -48.07 91.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 74.32 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.6 Cg_endo -74.95 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.803 . . . . 73.04 111.053 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtp-105 -97.46 -27.67 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 75.35 110.299 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' CD1' HD21 ' A' ' 55' ' ' LEU . 23.8 mt -75.84 -24.68 55.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.43 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.26 136.18 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 74.44 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.75 -11.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 61.51 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -100.61 128.75 46.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.24 111.053 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -86.43 158.14 19.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 71.23 110.292 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 19.6 m -89.69 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.41 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -105.07 32.64 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 65.23 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.9 tt0 -178.55 156.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 74.23 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.0 t -75.52 97.05 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 74.31 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 94.9 t -96.04 112.63 60.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 71.23 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 158.11 42.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 71.33 110.989 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 ttp -59.62 119.23 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 74.1 111.033 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.8 -14.67 37.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 75.23 111.011 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.404 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 18.4 m -76.18 115.6 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 73.43 110.428 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.448 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 5.9 m -49.65 137.12 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.14 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 5' ' ' VAL . 6.4 tp -85.19 130.2 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 72.21 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.5 mmt -107.69 160.96 24.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 70.14 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.0 -20.82 16.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 60.24 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.49 5.83 46.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 74.21 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.408 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 11.4 mtm -112.34 24.18 12.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 72.13 110.958 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 93.8 t -140.41 143.45 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.14 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.477 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 10.9 mtmt -89.06 146.28 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.42 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.38 16.44 15.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.12 . . . . 73.32 110.989 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 26.2 t80 -77.86 172.71 13.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 71.42 111.035 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.639 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.57 149.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.44 109.324 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 75.33 110.999 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.278 -0.267 . . . . 72.14 110.278 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.97 133.32 48.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 72.34 110.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.78 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 65.21 109.968 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 55' ' ' LEU . 74.9 t -54.64 134.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 70.12 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.42 127.21 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.32 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' CB ' HG13 ' A' ' 11' ' ' ILE . . . -54.06 100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 62.44 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.28 -13.58 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 109.313 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 m -152.91 168.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 73.43 109.295 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.422 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.3 tp -63.97 94.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.44 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.425 HG13 ' CB ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.61 113.74 52.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 73.45 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.96 173.1 15.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.519 1.799 . . . . 54.34 111.036 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 tt -72.61 152.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 72.44 109.29 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 46.74 48.37 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 72.31 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 47.5 m -121.66 121.25 36.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.24 110.406 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.19 136.16 43.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 73.21 109.328 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 81.2 mt -87.85 141.06 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 71.11 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 p -127.88 171.3 11.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 73.45 110.421 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -76.94 -14.67 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 73.14 109.324 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.18 10.72 55.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 64.33 111.024 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.95 -34.28 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 73.52 111.018 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.0 mtm -97.38 177.21 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 74.45 110.997 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -166.76 171.39 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.22 110.372 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.43 HG21 ' CB ' ' A' ' 34' ' ' ALA . 71.9 p -112.5 126.98 55.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 70.41 110.403 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.74 142.94 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 75.43 110.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -77.21 81.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 73.2 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -106.76 159.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.25 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.478 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.48 135.98 28.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 75.31 109.981 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -74.99 153.45 99.17 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.982 -2.507 . . . . 64.23 110.989 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 p -66.63 119.09 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 75.5 110.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.432 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.4 -149.9 26.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 33.13 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 36.1 mt -40.55 142.29 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 73.42 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.98 149.39 36.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 64.12 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -63.89 -15.54 59.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 72.45 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -78.58 -8.02 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 74.41 110.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -104.51 -1.77 26.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.21 109.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.57 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -52.45 -48.0 91.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 73.15 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.779 . . . . 74.31 110.974 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -97.51 -26.77 14.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 60.14 110.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' CD1' HD21 ' A' ' 55' ' ' LEU . 21.4 mt -76.85 -24.35 52.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 72.24 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.72 136.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 73.55 109.264 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.8 -11.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 71.22 109.99 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -98.86 128.57 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.23 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -86.03 157.42 20.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 73.34 110.271 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 24.5 m -92.14 151.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 64.11 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.9 p30 -104.95 32.33 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.12 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.7 tt0 -178.57 156.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 73.31 110.28 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.433 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -77.81 103.54 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 72.42 109.34 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.0 t -97.25 114.09 64.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 70.33 109.284 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 141.01 26.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 72.22 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.422 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -45.68 119.69 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 73.33 111.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.76 -5.73 43.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.137 . . . . 72.22 111.003 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.416 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 14.4 m -83.64 116.94 22.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.74 . . . . 64.24 110.358 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 7.4 m -49.74 135.77 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 74.2 110.366 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 5' ' ' VAL . 6.6 tp -84.11 130.3 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 71.35 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.47 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 8.4 mmt -107.14 161.26 23.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 75.34 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.95 -20.6 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 74.43 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 7.08 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 63.42 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -111.71 23.89 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 64.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -146.58 133.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.44 109.319 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 12.6 mttm -81.56 149.33 28.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.43 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.18 13.85 30.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 72.1 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.6 t80 -78.43 171.64 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 75.31 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.645 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.29 149.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 64.12 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 73.55 111.01 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.286 -0.264 . . . . 73.11 110.286 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -68.78 134.33 49.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 71.01 110.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.92 143.14 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.11 109.992 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.457 HG12 ' CD2' ' A' ' 55' ' ' LEU . 71.6 t -54.64 135.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 72.42 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.98 125.51 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 73.33 109.254 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.13 98.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.54 109.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.18 -13.58 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 75.23 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.451 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 35.1 m -155.47 173.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 74.03 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.31 104.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 72.21 109.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG22 ' CE ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -100.29 108.56 53.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 74.35 109.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.463 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.5 Cg_endo -74.95 172.7 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 71.41 111.025 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.37 155.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 74.31 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.2 p30 40.54 51.75 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 61.14 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 53.2 m -118.79 118.86 32.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.45 110.351 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.6 125.97 14.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.01 109.289 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 75.6 mt -82.8 139.81 33.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 73.04 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.427 ' O ' ' CE ' ' A' ' 22' ' ' MET . 12.9 p -127.81 171.42 11.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 72.41 110.417 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.63 -12.96 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 71.44 109.322 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.62 10.71 49.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 73.11 111.001 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -115.61 -31.97 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 72.42 111.014 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' A' ' 18' ' ' THR . 47.7 mtm -98.75 175.28 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 71.24 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -164.19 170.46 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 63.14 110.428 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.46 HG21 ' CB ' ' A' ' 34' ' ' ALA . 74.3 p -113.52 128.18 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.53 110.37 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.65 143.06 19.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 61.22 110.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.11 81.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 74.21 109.303 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.4 m -106.94 160.86 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 74.3 109.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.46 135.87 28.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 74.12 110.063 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.4 99.15 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.02 -2.492 . . . . 71.24 111.013 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 p -66.97 118.98 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 72.11 110.437 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.06 25.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.132 . . . . 72.4 111.01 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 55.7 mt -41.58 142.46 1.02 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 73.2 109.329 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.02 150.58 38.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 74.43 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -63.69 -12.92 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 71.4 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -80.7 -11.45 59.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.23 110.273 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.1 t70 -96.65 -5.83 38.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 73.13 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -51.24 -49.3 82.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.14 109.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -9.57 20.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 75.41 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.5 mtp-105 -97.23 -16.06 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 71.44 110.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CD1' HD23 ' A' ' 55' ' ' LEU . 22.9 mt -88.48 -22.8 23.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 74.42 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -57.0 135.94 20.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 74.21 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.62 -11.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 65.5 109.969 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.2 132.65 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 71.1 110.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -92.2 145.85 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 72.43 110.276 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.3 m -77.7 155.9 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.52 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.3 p30 -106.31 31.92 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.23 109.265 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.4 tt0 -178.55 155.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.05 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.4 t -75.55 96.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.31 109.306 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 81.7 t -94.43 113.49 61.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 75.24 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.52 42.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 74.33 111.0 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 9' ' ' VAL . 32.3 ttm -60.02 121.3 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.42 111.009 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.07 -12.12 48.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 54.32 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.6 m -78.71 116.06 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 64.22 110.363 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.429 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.77 137.55 16.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 74.4 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD2' HG12 ' A' ' 5' ' ' VAL . 5.8 tp -84.62 129.99 34.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 71.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.465 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 11.6 mmt -108.12 159.42 30.67 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 71.03 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.572 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.97 -21.46 15.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 62.33 111.002 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.67 9.28 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 73.34 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.2 mtm -116.36 15.33 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 65.45 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 62.1 t -131.51 139.31 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 75.24 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 20.3 mtmt -86.92 150.46 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 74.22 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.27 19.54 5.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 64.54 110.99 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.584 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 23.0 t80 -83.92 172.99 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 75.25 111.036 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.584 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 170.7 148.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 71.13 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 71.1 111.03 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.298 -0.26 . . . . 72.14 110.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.79 130.69 47.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 72.43 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.23 143.97 47.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 70.24 110.012 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 55' ' ' LEU . 72.3 t -54.6 134.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 73.34 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.0 t -137.78 121.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.43 109.311 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.37 102.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.51 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -67.61 -10.41 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 44.42 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 27.6 m -157.75 169.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 75.41 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.0 tp -64.89 93.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 72.21 109.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -84.18 114.07 52.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 73.53 109.266 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 74.12 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tt -70.55 152.64 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 74.4 109.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 42.92 53.4 5.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.01 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 m -123.8 126.5 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 72.34 110.382 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.52 130.82 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 54.31 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 64.8 mt -83.5 142.12 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 71.31 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -127.74 170.82 12.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 73.24 110.427 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.96 -13.55 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 73.33 109.304 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.82 52.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 52.24 111.062 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -115.57 -33.8 5.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 74.44 111.002 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 mtm -97.76 169.76 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 74.43 111.006 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -158.94 170.08 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 75.12 110.395 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.448 HG23 ' CB ' ' A' ' 34' ' ' ALA . 82.3 p -111.56 130.27 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.4 110.355 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.9 145.49 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 75.52 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.99 82.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.22 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -106.52 158.78 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 74.55 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.2 t -127.79 135.99 28.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.04 109.955 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.3 99.09 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.947 -2.522 . . . . 74.2 111.039 -0.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 p -65.82 117.77 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 71.54 110.395 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.08 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 71.13 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 93.3 mt -40.77 142.49 0.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 74.23 109.293 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 150.89 39.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 74.1 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -63.62 -13.36 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 73.32 109.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.9 -13.91 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.24 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.21 -6.09 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 64.24 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.8 -48.68 90.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.31 109.32 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 70.15 111.008 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -97.58 -17.34 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.25 110.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD22 ' CE2' ' A' ' 63' ' ' TYR . 14.4 mt -87.73 -23.55 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.44 109.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -56.16 136.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 75.33 109.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.27 -10.95 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 64.53 110.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.409 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.38 131.81 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.25 111.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -86.54 149.9 24.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 73.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' CG1' HD11 ' A' ' 17' ' ' LEU . 16.2 m -89.71 145.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 74.52 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.4 p30 -92.28 25.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 73.13 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -175.05 148.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 73.24 110.298 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 12' ' ' PRO . 2.5 p -77.94 96.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 75.22 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' ILE . 59.8 t -83.71 121.08 76.1 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 74.24 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.32 26.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 74.41 110.951 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.409 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 45.0 ttp -47.59 119.83 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 74.1 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.03 -9.73 39.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 53.41 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.464 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 23.4 m -82.49 122.22 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 75.22 110.44 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.442 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 9.1 m -52.72 139.88 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 73.1 110.416 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -82.69 127.44 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 75.14 109.291 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.419 ' N ' HD13 ' A' ' 55' ' ' LEU . 18.8 mmt -107.5 157.38 35.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 74.22 111.015 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.6 Cg_endo -74.96 -26.99 10.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 71.21 111.06 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.47 17.17 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.31 109.292 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.06 7.73 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.31 110.966 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 60.3 t -128.45 135.23 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.2 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 13.1 mtmt -83.73 147.62 27.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 74.43 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.14 15.47 22.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 72.23 111.003 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.3 t80 -81.96 173.24 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 74.14 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.94 150.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.3 109.318 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 70.42 110.989 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.327 -0.249 . . . . 74.35 110.327 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.31 137.54 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.24 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.32 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.1 109.967 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 55' ' ' LEU . 74.9 t -54.59 134.93 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 74.5 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 27' ' ' VAL . 61.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 71.21 109.3 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.45 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 71.45 109.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -12.34 43.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 72.33 109.297 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -153.57 170.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 71.42 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -64.46 103.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.43 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -99.01 109.56 54.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.22 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.471 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 73.33 111.023 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.17 156.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 62.03 109.359 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 40.65 51.26 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 53.44 109.259 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 54.4 m -119.96 118.6 31.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 74.54 110.407 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.38 127.35 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 75.22 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 73.3 mt -84.16 139.8 32.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 73.13 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.45 ' O ' ' CE ' ' A' ' 22' ' ' MET . 30.0 p -125.51 172.64 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 73.22 110.402 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.83 -13.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.44 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.75 10.69 49.2 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 71.43 111.02 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.4 mtm -114.88 -31.67 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 74.45 110.991 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.45 ' CE ' ' O ' ' A' ' 18' ' ' THR . 50.0 mtm -99.13 177.09 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 53.55 111.005 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -167.46 170.59 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 71.54 110.387 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 34' ' ' ALA . 81.4 p -112.8 128.07 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 75.0 110.431 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.34 141.69 17.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 73.43 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.93 81.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 74.34 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -107.21 161.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 72.25 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.93 135.97 28.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 74.31 110.018 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.53 99.22 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.981 -2.508 . . . . 75.1 111.0 0.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 p -67.84 119.15 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.4 110.353 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.78 -150.22 26.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 63.22 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 56' ' ' MET . 93.6 mt -40.29 142.61 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 75.22 109.273 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.94 150.47 38.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 62.21 111.03 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB2' ' CG2' ' A' ' 24' ' ' THR . . . -63.47 -13.27 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 72.14 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -80.15 -9.47 59.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 75.14 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.6 t70 -100.26 -4.81 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 63.11 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.1 mt -52.31 -48.9 87.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 75.22 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.25 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.454 1.765 . . . . 62.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.5 mtp-105 -97.45 -23.14 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.15 110.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD1' HD21 ' A' ' 55' ' ' LEU . 25.0 mt -80.11 -23.04 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 74.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.42 135.57 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 73.34 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.82 -11.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 75.53 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.04 132.43 45.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 72.44 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.49 148.89 21.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.35 110.289 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.3 m -78.63 151.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 74.45 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 20.5 p30 -102.74 30.35 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 74.55 109.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.5 tt0 -177.75 159.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.22 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.5 t -78.57 108.61 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 63.43 109.29 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.1 118.77 47.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 72.31 109.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.67 30.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 73.54 111.021 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.81 121.61 15.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 74.42 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.82 -17.23 39.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 73.41 110.967 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -72.23 115.67 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 71.34 110.386 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.4 m -49.44 132.52 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 74.05 110.434 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 5' ' ' VAL . 7.4 tp -79.82 132.69 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 75.23 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.485 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.5 mmt -108.59 161.72 22.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 74.23 111.037 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -24.7 12.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 75.12 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.91 10.07 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 61.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.4 mtm -113.03 16.22 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 64.22 111.036 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.5 t -137.82 141.88 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 72.24 109.278 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 57.4 mttt -89.04 150.77 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 72.1 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.81 18.65 11.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 65.15 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 16.5 t80 -84.21 172.94 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.772 . . . . 70.14 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.6 150.44 0.17 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 72.5 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 73.34 110.984 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.339 -0.245 . . . . 63.35 110.339 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.46 131.27 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 74.34 110.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.35 145.14 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 73.1 109.968 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 55' ' ' LEU . 60.1 t -55.19 135.48 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 75.4 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.0 t -137.11 120.85 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 75.12 109.299 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.22 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.11 -13.62 38.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 71.42 109.277 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -152.35 169.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 73.12 109.276 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.31 101.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 71.4 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 HG23 ' CE ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -96.94 110.65 54.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.32 109.274 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.05 173.26 14.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.44 1.758 . . . . 74.32 111.02 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 15.6 tt -68.59 154.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 73.41 109.334 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 42.93 50.83 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.33 109.26 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.436 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 41.3 m -121.4 118.23 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 55.13 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.48 129.27 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 65.41 109.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 68.2 mt -86.03 140.65 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 74.02 109.337 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -127.38 169.79 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 72.34 110.377 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -75.72 -13.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 73.43 109.259 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.73 10.65 56.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 75.04 111.034 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.8 mtm -117.02 -33.81 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 73.04 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.8 mtm -97.53 178.64 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.55 110.96 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.74 175.65 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.33 110.412 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 34' ' ' ALA . 68.9 p -116.15 136.01 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 74.42 110.437 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.47 140.72 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 73.14 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.1 t -77.73 82.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.31 109.294 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.413 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.8 m -106.59 163.36 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.31 109.272 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.58 135.22 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.3 109.986 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.69 99.3 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.966 -2.514 . . . . 72.55 111.009 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 p -69.59 118.31 12.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 73.31 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.72 -150.41 26.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 71.12 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 95.2 mt -40.46 142.64 0.74 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 73.35 109.277 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.94 38.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 72.34 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' A' ' 24' ' ' THR . . . -63.28 -13.42 38.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 61.51 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -79.66 -8.57 59.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 75.35 110.251 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -101.84 -4.9 25.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 64.02 109.339 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.565 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.2 mt -52.34 -48.94 87.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 72.2 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -8.02 19.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 64.31 111.02 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.8 mtp-105 -97.37 -24.05 15.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 73.23 110.264 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 55' ' ' LEU . 19.1 mt -79.21 -23.15 44.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 75.13 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.5 mt -56.69 135.62 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 71.24 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 t 84.7 -10.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.25 110.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.5 131.57 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.21 110.984 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.27 146.37 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.45 110.296 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.6 m -75.39 155.56 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 74.33 109.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 22.5 p30 -105.38 29.86 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 75.42 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.2 tt0 -178.55 159.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.33 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.4 t -77.99 109.05 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 73.34 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.21 119.48 45.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.3 109.324 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 164.38 33.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 74.43 111.037 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.6 ttp -66.15 121.58 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 74.13 110.967 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.94 -16.97 38.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 73.3 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 m -73.42 115.86 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 73.25 110.398 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.413 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 2.9 m -49.51 135.01 18.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 65.43 110.402 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 5' ' ' VAL . 7.4 tp -81.73 131.76 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 74.35 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.3 mmt -106.63 161.96 21.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 73.13 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.98 -24.07 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 74.33 111.008 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 6.87 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.35 109.334 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mtm -110.9 16.77 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 72.54 110.928 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.494 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 24.8 t -137.57 138.56 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 73.41 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 56.0 mttt -85.57 152.3 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.35 109.271 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.15 20.57 4.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 75.02 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 11.9 t80 -84.66 173.01 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 74.32 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.46 150.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 71.35 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 74.22 110.987 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.321 -0.251 . . . . 73.41 110.321 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.76 132.08 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.51 110.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.79 142.86 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.11 109.959 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 55' ' ' LEU . 71.1 t -54.57 136.36 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 64.44 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.0 t -138.98 119.8 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.12 109.291 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -43.83 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 65.01 109.287 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -66.95 -11.2 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 73.24 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 27.4 m -157.69 170.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 75.43 109.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.43 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 73.31 109.34 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -82.36 114.14 49.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 73.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 73.35 111.025 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 tt -70.51 153.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.13 109.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 41.14 54.41 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 70.34 109.285 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.3 m -123.59 128.86 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 70.42 110.384 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.73 131.62 51.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 72.24 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 77.4 mt -84.87 140.49 31.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.12 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -125.78 173.8 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 75.31 110.37 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.98 -14.37 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 75.15 109.287 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.29 10.58 54.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 52.25 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -114.41 -32.43 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 72.33 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.6 mtm -97.73 168.82 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 75.53 111.022 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.65 166.44 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 73.25 110.427 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 p -109.22 134.95 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 74.4 110.4 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.24 143.95 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 75.22 110.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.65 81.68 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 53.3 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.32 157.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 63.51 109.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.66 135.59 27.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.02 110.043 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 153.06 98.9 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 74.23 111.022 0.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -69.65 118.82 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.02 110.419 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.26 -146.66 21.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 55.31 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 69.9 mt -42.76 142.67 1.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 72.45 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 150.91 38.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 75.31 110.982 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -12.61 39.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 74.31 109.324 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.79 -11.51 59.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.24 110.287 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.05 -4.91 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.14 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.564 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.1 mt -53.27 -48.66 91.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 64.35 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -7.67 19.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 71.11 111.01 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.39 -20.18 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 75.32 110.313 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD23 ' CE2' ' A' ' 63' ' ' TYR . 29.8 mt -83.43 -24.52 31.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 74.43 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.52 135.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.44 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.41 -10.98 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 74.01 109.96 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.78 130.56 45.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 51.03 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -84.38 153.14 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 74.31 110.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.95 144.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.43 109.311 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.6 p30 -92.83 28.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 71.32 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -178.57 148.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 72.15 110.311 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -78.47 96.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.01 109.349 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ILE . 58.5 t -83.55 121.33 76.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.24 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.74 25.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 72.42 111.027 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.3 ttp -47.26 120.29 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 70.21 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.42 -9.66 41.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 54.31 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.446 ' CG2' HG11 ' A' ' 49' ' ' VAL . 22.9 m -82.62 121.53 26.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 75.31 110.415 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 m -51.32 139.86 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.51 110.389 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.17 125.77 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 72.52 109.294 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.455 ' C ' ' CD1' ' A' ' 32' ' ' ILE . 14.5 mmt -105.61 156.75 35.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 75.22 111.005 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -27.67 9.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 72.54 111.0 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.39 17.07 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 70.32 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 mtm -119.95 11.95 11.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 64.31 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.4 t -133.47 137.1 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 71.02 109.297 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 46.4 mttt -86.19 146.12 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 74.12 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.89 13.79 34.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 74.31 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.602 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 13.0 t80 -81.15 173.23 12.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 74.04 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.69 150.52 0.2 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 72.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 73.55 110.992 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.326 -0.25 . . . . 75.42 110.326 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.63 131.23 42.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.03 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.12 141.75 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 71.33 110.016 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 55' ' ' LEU . 69.2 t -54.55 134.66 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 70.22 109.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 23' ' ' THR . 56.1 t -138.59 119.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.21 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' HG13 ' A' ' 11' ' ' ILE . . . -46.23 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -13.59 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.34 109.278 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.9 m -153.44 170.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.45 109.264 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.7 104.79 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.14 109.303 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.461 HG21 ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -100.14 108.57 52.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.54 109.272 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.469 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.96 172.71 15.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 74.54 110.97 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.8 tt -67.96 155.92 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 71.14 109.323 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 40.25 51.7 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 73.55 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 39.9 m -120.31 120.25 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 71.31 110.423 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.66 129.82 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 75.33 109.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 80.4 mt -85.81 140.37 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 71.12 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.447 ' O ' ' CE ' ' A' ' 22' ' ' MET . 13.6 p -127.43 173.71 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.21 110.397 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.37 -14.15 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 74.2 109.327 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.92 10.75 52.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 70.21 111.02 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -114.71 -31.45 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 72.53 110.999 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.447 ' CE ' ' O ' ' A' ' 18' ' ' THR . 52.5 mtm -99.81 173.72 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.54 111.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 12.1 t -162.67 169.21 20.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 72.55 110.378 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.462 HG21 ' CB ' ' A' ' 34' ' ' ALA . 81.5 p -112.96 126.11 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 74.21 110.41 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.79 145.41 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 73.31 110.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.76 79.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.54 109.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -106.53 158.0 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 65.3 109.294 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.8 t -128.59 135.93 28.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 75.04 110.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 154.13 99.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.057 -2.476 . . . . 73.21 110.965 0.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.6 p -71.15 118.94 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 75.32 110.419 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' CA ' ' CE ' ' A' ' 56' ' ' MET . . . -95.01 -144.31 16.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 74.53 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 56' ' ' MET . 95.1 mt -43.07 140.71 1.91 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 70.25 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 148.09 34.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 72.51 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -64.13 -12.92 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 63.33 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.55 -9.91 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 62.02 110.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.88 -0.68 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 74.13 109.285 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.61 -48.82 89.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 75.15 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 74.12 111.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 mtp-105 -97.6 -18.16 19.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 71.1 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.5 mt -86.35 -23.76 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.96 136.28 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 74.35 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.73 -11.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.1 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.9 mtm -98.24 134.47 41.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 74.31 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -93.72 149.21 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 75.24 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.5 m -82.85 155.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 71.14 109.283 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.2 p30 -106.46 32.71 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.2 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.5 tt0 -178.41 156.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.34 110.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.1 t -76.43 96.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 71.11 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 89.7 t -94.8 116.15 66.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 64.01 109.285 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.81 36.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 74.34 110.964 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.12 118.02 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 75.3 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.87 -13.41 34.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 60.53 110.982 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -77.34 117.94 19.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 73.04 110.409 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -49.83 139.35 13.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 74.44 110.386 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 5' ' ' VAL . 6.7 tp -87.02 132.83 33.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 74.2 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.49 ' CE ' ' CA ' ' A' ' 31' ' ' GLY . 18.7 mmt -109.07 159.52 30.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.54 111.05 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -16.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 75.21 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -103.81 7.64 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.52 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -110.67 11.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.34 111.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 t -133.39 135.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 74.51 109.279 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 10.0 mttm -83.91 150.84 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 71.04 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.08 14.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 73.44 110.989 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 18.0 t80 -81.25 173.16 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 75.43 110.968 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.48 149.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 54.32 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 73.22 111.021 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.3 -0.259 . . . . 73.3 110.3 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.75 133.14 50.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.31 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.88 144.59 46.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.43 110.011 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 55' ' ' LEU . 68.9 t -54.56 135.82 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 71.23 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' CG1' ' A' ' 27' ' ' VAL . 52.8 t -139.79 118.81 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 75.43 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.421 ' CB ' HG13 ' A' ' 11' ' ' ILE . . . -46.42 99.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 62.11 109.253 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.1 -13.45 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 70.01 109.286 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.8 m -154.19 171.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 75.1 109.255 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tp -62.84 105.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.24 109.273 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 HG21 ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -100.24 108.61 53.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 75.1 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 173.11 15.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 73.1 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -67.86 155.11 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 74.31 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 41.16 51.41 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.13 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 58.3 m -119.45 118.34 30.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 73.15 110.406 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 127.73 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 75.45 109.275 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 85.1 mt -82.5 138.56 34.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 75.31 109.273 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -127.46 168.42 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 74.14 110.418 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.8 p -75.03 -13.64 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.11 109.353 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.34 10.78 54.45 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.122 . . . . 33.52 110.973 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.02 -33.5 4.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 73.44 111.03 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.9 mtm -97.8 175.57 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 63.33 110.975 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -164.89 171.24 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 74.54 110.432 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 34' ' ' ALA . 70.1 p -113.01 127.94 56.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 72.5 110.406 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.78 140.2 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 75.54 110.272 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.35 82.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 72.34 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.5 m -106.55 161.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 73.23 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.3 t -128.43 135.44 27.56 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 71.35 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 153.26 99.07 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.983 -2.507 . . . . 75.24 110.987 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -67.51 119.03 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.22 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.459 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -97.08 -148.98 24.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 75.33 111.024 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 73.3 mt -41.1 142.56 0.86 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 74.31 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 149.73 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 63.55 110.998 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -64.31 -12.75 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 72.23 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.99 -10.06 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 70.45 110.341 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' LEU . 1.2 m-20 -100.34 -6.7 25.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.31 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.5 mt -51.95 -48.27 88.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 64.52 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -8.1 19.74 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 71.42 110.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -97.93 -24.72 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 73.04 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' ASP . 11.5 mt -77.49 -20.9 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.43 109.3 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.2 mm -54.84 134.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 75.32 109.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 3.3 t 85.03 -11.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 73.12 109.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -98.22 131.09 44.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.53 111.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.93 156.17 18.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 72.05 110.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 19.1 m -88.37 154.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 71.44 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.5 p30 -105.35 32.87 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.52 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.3 tt0 -178.5 155.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.35 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.436 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.3 t -76.3 96.78 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 72.13 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.0 t -94.76 115.63 65.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 75.43 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 65.11 110.989 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.8 ttp -61.39 119.98 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.41 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.33 -14.29 39.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 52.44 111.008 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -77.6 116.68 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 52.12 110.395 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.463 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.71 141.04 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 72.53 110.432 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.8 tp -87.96 130.27 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.5 109.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.459 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 7.4 mmt -106.38 161.16 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.24 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.96 -22.92 14.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 72.5 111.031 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -98.24 8.74 44.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 73.45 109.324 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 mtm -113.92 15.74 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 74.5 110.984 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.449 HG12 ' CE ' ' A' ' 43' ' ' MET . 48.3 t -135.73 137.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 64.12 109.266 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.2 mttt -86.68 149.95 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.41 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.49 17.8 13.8 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 64.35 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 16.3 t80 -83.36 173.25 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 75.04 110.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.37 149.87 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 73.24 109.284 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 70.1 111.023 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.292 -0.262 . . . . 74.22 110.292 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.43 131.66 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 64.31 110.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.97 145.76 42.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 71.11 109.998 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.457 HG11 ' CD2' ' A' ' 55' ' ' LEU . 67.7 t -56.42 135.28 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 54.33 109.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -137.26 123.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 74.33 109.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.63 102.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 71.4 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -67.3 -9.72 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 72.14 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 29.8 m -157.09 171.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.22 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.36 103.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 75.23 109.34 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.469 HG22 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -99.26 109.05 53.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 73.11 109.35 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.483 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 71.13 111.035 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.72 154.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 71.15 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 42.3 50.68 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 74.14 109.301 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 54.7 m -120.36 117.47 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.23 110.37 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.13 129.17 20.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 74.3 109.282 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 71.5 mt -84.98 139.93 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.2 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -126.92 170.33 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 74.01 110.421 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.46 -13.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 75.24 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 10.73 55.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 72.02 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.469 ' CE ' HG22 ' A' ' 11' ' ' ILE . 1.2 mtm -116.51 -32.8 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 64.12 111.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.2 mtm -98.28 177.21 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.54 111.019 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.37 171.45 10.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 73.51 110.42 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.447 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.2 p -112.64 137.18 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 72.4 110.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.87 144.51 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.33 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.62 82.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 74.32 109.275 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.5 m -106.6 162.02 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 54.34 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -129.71 135.55 27.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 62.31 110.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.02 153.74 99.29 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 73.34 110.971 0.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -68.88 118.78 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 71.43 110.43 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.39 -150.24 26.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 53.24 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 56' ' ' MET . 79.6 mt -41.41 142.46 0.97 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 73.11 109.335 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.95 34.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.779 . . . . 74.22 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.13 -15.36 45.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 71.34 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.71 -1.99 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 72.35 110.292 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.71 -0.7 17.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 73.25 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -53.27 -48.42 92.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 75.32 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -7.55 19.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 74.34 110.98 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -97.62 -19.14 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 74.52 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.07 -24.36 28.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 75.23 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.18 135.99 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 73.24 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.79 -11.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 75.2 109.975 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.9 mtm -99.43 129.17 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 63.23 110.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -90.24 147.59 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 72.35 110.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -77.21 153.39 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.44 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 22.0 p30 -103.67 30.65 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 65.23 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.5 tt0 -178.63 159.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.11 110.336 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.79 107.95 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 74.33 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.8 116.91 51.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 73.25 109.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 165.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 61.21 110.949 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.7 ttm -65.93 124.34 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 64.24 111.027 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.56 51.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 72.44 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 m -76.12 114.91 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 73.1 110.38 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.7 m -49.53 134.93 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 74.31 110.405 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD2' HG11 ' A' ' 5' ' ' VAL . 7.6 tp -80.81 130.91 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 75.03 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.481 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.8 mmt -106.44 161.93 21.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 75.53 111.034 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.577 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -23.92 13.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 75.22 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.34 7.65 46.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 62.23 109.297 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -111.94 20.34 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.54 110.979 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.493 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 21.4 t -142.99 137.89 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 61.52 109.276 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 59.5 mttt -86.52 151.06 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 73.41 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.39 17.72 12.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 70.25 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 14.8 t80 -82.79 173.25 12.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 71.34 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.52 150.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 72.05 109.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 74.15 110.978 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.348 -0.241 . . . . 73.34 110.348 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.84 134.06 48.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.03 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' A' ' 2' ' ' GLN . 0.8 OUTLIER -121.77 144.5 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 63.41 109.972 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.446 HG12 ' CD2' ' A' ' 55' ' ' LEU . 77.0 t -54.65 134.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.55 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.2 t -137.35 124.11 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 62.42 109.308 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.95 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 72.02 109.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.457 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.86 -13.07 41.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 70.44 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 27.4 m -156.12 172.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 74.14 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.14 92.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 75.13 109.256 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -83.59 114.06 51.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.2 109.322 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.03 171.65 17.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.762 . . . . 73.44 110.947 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.409 HG12 ' ND2' ' A' ' 14' ' ' ASN . 19.5 tt -71.89 153.73 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 73.1 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 m120 44.2 50.18 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 72.25 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.5 m -121.04 128.24 52.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 65.25 110.44 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -58.3 135.49 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.12 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 82.1 mt -87.17 137.51 32.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 75.54 109.333 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' CE ' ' A' ' 22' ' ' MET . 15.0 p -125.45 171.52 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 75.44 110.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.02 -13.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 74.43 109.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.73 10.47 52.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 34.2 111.029 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.5 mtm -115.07 -33.58 5.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 73.15 111.035 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.4 ' CE ' ' O ' ' A' ' 18' ' ' THR . 46.3 mtm -98.12 172.61 7.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 71.31 111.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -162.56 170.84 17.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.14 110.426 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.458 HG23 ' CB ' ' A' ' 34' ' ' ALA . 74.4 p -113.42 128.97 56.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 73.14 110.368 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.43 140.25 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 75.21 110.316 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.43 80.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 75.21 109.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.449 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.4 m -106.31 159.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 63.14 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.53 135.87 28.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.43 109.985 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.63 99.27 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 73.32 110.979 -0.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 p -69.1 119.51 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 73.0 110.391 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.41 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -96.66 -148.18 23.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 74.22 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 58.3 mt -41.66 142.42 1.05 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 72.44 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 148.97 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 71.24 111.026 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -64.74 -14.51 59.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 74.11 109.317 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.87 -7.99 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.54 110.31 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.91 -2.07 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 71.24 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.2 mt -52.26 -48.27 89.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.21 109.323 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.03 -6.28 17.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 75.24 111.01 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -97.44 -24.71 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.43 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 mt -79.45 -23.97 42.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 73.24 109.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.96 136.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 72.32 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.69 -11.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 74.41 110.02 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -98.56 130.52 45.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.45 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 45.5 mt-30 -85.11 155.94 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.42 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' ASN . 18.1 m -95.52 143.13 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 65.12 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 28.5 p30 -90.85 18.61 6.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 62.1 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.08 149.79 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 71.22 110.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -79.31 96.41 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 63.24 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ILE . 60.8 t -83.38 120.65 75.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 73.23 109.287 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 141.62 27.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 75.02 111.023 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -47.53 121.07 3.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 75.32 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.2 -7.83 48.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.423 1.077 . . . . 73.34 110.993 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -86.85 119.43 27.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 73.42 110.449 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 2.6 m -51.41 140.42 17.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 73.11 110.413 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 5' ' ' VAL . 6.5 tp -87.55 129.69 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.54 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.468 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.5 mmt -105.98 161.07 23.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 72.34 110.985 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.01 -28.56 9.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 72.2 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -92.23 10.43 29.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 74.02 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -115.31 19.66 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.12 111.029 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.24 138.84 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 72.41 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.449 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 12.1 mtmt -85.8 146.17 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 70.13 109.274 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.45 14.29 26.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.57 1.169 . . . . 61.44 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.7 t80 -78.19 172.6 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 72.4 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.638 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.59 149.91 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.52 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 74.33 111.024 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.423 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.272 -0.27 . . . . 73.25 110.272 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.47 136.97 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 65.25 110.32 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.62 143.22 50.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 110.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 55' ' ' LEU . 71.0 t -54.6 135.89 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.03 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.0 t -136.21 132.84 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 64.33 109.311 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 100.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 74.51 109.286 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -13.02 41.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.11 109.285 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.4 m -154.1 167.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 73.15 109.317 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.82 92.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.02 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.22 114.09 50.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.11 109.337 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.06 173.16 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 71.12 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 tt -68.49 155.35 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 71.11 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 40.81 50.39 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 73.24 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 65.0 m -118.08 116.0 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 75.42 110.381 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.9 125.18 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 75.4 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 69.1 mt -78.99 141.61 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 71.22 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.419 ' O ' ' CE ' ' A' ' 22' ' ' MET . 2.2 p -126.17 171.66 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 75.22 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.03 -13.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.33 109.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.88 10.62 48.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.445 1.09 . . . . 61.23 111.019 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -115.28 -32.72 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.737 . . . . 72.02 110.985 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -98.2 170.61 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 73.04 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 t -160.34 169.06 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.04 110.402 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.455 HG22 ' CD1' ' A' ' 37' ' ' ILE . 70.9 p -113.68 127.63 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.1 110.377 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 145.56 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 73.14 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -76.08 80.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 70.11 109.328 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -106.3 159.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 72.34 109.329 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.58 135.97 28.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 72.15 109.977 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.97 153.67 99.29 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.042 -2.483 . . . . 74.21 111.034 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p -67.83 118.73 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.23 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -95.85 -152.19 28.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 71.11 110.956 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.13 142.32 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 75.32 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 149.12 36.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 72.25 110.981 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.51 -15.14 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 75.43 109.255 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.7 -0.72 35.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.03 -1.17 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 74.34 109.298 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -53.48 -48.57 92.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 75.23 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.93 -7.92 19.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 72.05 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 16.1 mtp-105 -97.52 -18.39 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 75.51 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD1' HD23 ' A' ' 55' ' ' LEU . 20.8 mt -85.55 -24.48 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.13 109.305 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.2 mt -56.07 136.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 72.51 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.47 -11.09 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 54.42 109.995 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.427 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.84 128.59 45.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 72.21 111.01 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -87.98 152.89 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 61.31 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.4 m -85.48 154.98 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 72.02 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.0 p30 -105.78 30.99 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 74.03 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.6 tt0 -177.66 157.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 73.25 110.324 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -84.33 102.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.12 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -99.04 121.79 54.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 65.43 109.29 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.46 21.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 74.22 110.979 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.3 ttp -39.63 122.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 74.43 110.982 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.21 -12.46 48.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 63.45 110.994 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -76.25 114.45 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 71.34 110.378 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.512 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 4.1 m -49.56 127.61 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 75.41 110.391 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.7 tp -72.5 130.6 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.04 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.467 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.7 mmt -107.38 161.11 24.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 74.41 111.005 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.581 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 75.41 111.011 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.37 10.18 40.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.2 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 mtm -112.42 10.11 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 75.22 110.986 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.43 138.12 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 75.22 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 53.6 mttt -86.21 150.37 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 75.21 109.305 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 73.52 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 10.0 t80 -83.12 173.2 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 74.23 110.98 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.16 151.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 62.11 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 74.51 110.964 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.427 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.287 -0.264 . . . . 75.44 110.287 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -68.56 131.67 45.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.54 110.292 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.55 144.37 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 55.02 110.023 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 55' ' ' LEU . 70.3 t -54.6 135.24 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.35 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.456 HG23 ' CG1' ' A' ' 27' ' ' VAL . 53.4 t -139.85 122.99 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 72.11 109.321 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.19 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 51.3 109.286 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.25 -13.59 39.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 73.01 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 19.9 m -155.32 172.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 72.45 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.58 105.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 72.32 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.5 OUTLIER -100.75 107.98 51.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 75.12 109.296 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.98 173.2 14.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 74.14 111.0 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 tt -68.04 156.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 75.33 109.275 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 40.85 49.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.13 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 47.1 m -117.29 119.82 36.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 63.53 110.385 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 125.98 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 73.21 109.346 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 75.2 mt -78.08 144.43 36.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 74.34 109.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' SD ' ' A' ' 22' ' ' MET . 1.6 p -144.89 152.4 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 75.2 110.425 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.99 -30.12 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 65.42 109.295 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.96 11.26 57.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 75.41 110.983 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.2 mtm -120.94 -37.39 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 0.73 . . . . 65.31 111.038 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' ' O ' ' A' ' 18' ' ' THR . 2.8 mpp? -97.56 178.42 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 72.34 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 t -167.72 169.58 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 74.33 110.391 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.47 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 69.8 p -110.26 126.35 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 71.41 110.381 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.41 144.22 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 74.2 110.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.7 81.94 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.45 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.456 ' CG1' HG23 ' A' ' 6' ' ' VAL . 3.2 m -107.48 161.79 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 74.34 109.331 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.8 t -130.49 135.96 28.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 72.33 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.22 99.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.009 -2.496 . . . . 72.34 111.048 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 p -67.8 118.81 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.5 110.374 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.42 -149.03 25.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 61.11 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 56' ' ' MET . 59.0 mt -40.49 142.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 75.41 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.45 38.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 72.41 111.031 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -63.64 -12.99 38.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.2 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.37 -10.95 59.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.15 110.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.3 t70 -100.11 -7.34 25.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.02 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.6 mt -51.62 -48.8 85.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.32 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.03 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 73.55 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -97.57 -21.12 17.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.53 110.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 63' ' ' TYR . 12.2 mt -82.38 -24.98 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.21 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -53.64 135.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.21 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -11.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 63.2 110.013 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.9 mtm -99.7 130.64 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 75.51 110.981 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -87.59 151.86 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.4 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -85.05 159.63 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 74.12 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 23.0 p30 -109.85 30.51 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 70.24 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.7 tt0 -176.98 156.02 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 53.25 110.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.7 t -76.76 96.64 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.12 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.3 t -94.27 114.65 63.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 71.42 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.97 157.17 43.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 75.22 111.028 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.5 120.05 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.14 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.97 -15.37 40.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 61.31 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 21.2 m -75.71 115.44 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 74.23 110.41 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.417 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.3 m -49.85 138.81 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 74.41 110.438 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.4 tp -85.3 130.71 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.34 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.472 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.6 mmt -108.27 160.89 25.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 74.33 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.582 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.99 -22.76 14.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 73.22 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.39 10.63 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 75.13 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mtm -115.82 12.07 15.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 74.23 110.971 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.9 t -131.01 139.17 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 73.33 109.253 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 16.6 mtmt -87.14 150.43 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 75.45 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.6 18.78 8.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 75.23 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 22.2 t80 -81.55 173.38 12.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 74.22 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 170.11 147.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 74.35 109.32 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 74.23 111.002 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.281 -0.266 . . . . 74.2 110.281 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.09 131.36 44.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 74.13 110.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.01 143.27 46.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.34 110.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 55' ' ' LEU . 71.3 t -54.61 135.05 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 71.44 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.446 HG22 ' CG1' ' A' ' 27' ' ' VAL . 58.7 t -138.13 118.04 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 72.43 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 74.55 109.28 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -68.82 -8.64 45.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 72.43 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 27.5 m -157.77 171.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 71.32 109.249 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 tp -63.91 105.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 64.23 109.331 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.462 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -101.98 107.46 52.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 71.51 109.337 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 75.43 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 47' ' ' GLN . 6.0 tt -67.27 155.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.51 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 13.0 m-20 41.76 51.15 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 61.44 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -119.99 117.26 27.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 72.3 110.365 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.67 126.68 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 54.44 109.293 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 11' ' ' ILE . 82.9 mt -84.03 139.52 32.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 75.01 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' CE ' ' A' ' 22' ' ' MET . 19.5 p -126.26 173.08 9.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 75.12 110.385 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.35 -16.09 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.25 109.273 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.54 10.64 57.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 73.43 111.01 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.441 ' CE ' HG22 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -115.25 -28.96 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 75.34 110.983 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 18' ' ' THR . 54.5 mtm -101.92 176.59 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.34 110.996 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -167.66 170.39 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 74.42 110.377 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 34' ' ' ALA . 26.7 p -110.33 135.43 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 61.11 110.403 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.78 145.16 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 65.11 110.271 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.96 81.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 73.53 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.2 m -106.3 158.5 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 75.11 109.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.59 136.15 28.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 75.45 109.996 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 153.76 99.31 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.993 -2.503 . . . . 72.13 111.022 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -66.62 118.11 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 55.13 110.395 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.463 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.04 -149.91 26.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 63.24 111.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.7 142.33 0.81 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 74.24 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 149.79 36.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 74.05 110.967 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' HB3' ' CG2' ' A' ' 24' ' ' THR . . . -63.8 -13.29 42.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 72.43 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -80.62 -11.31 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.52 110.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.04 -3.2 38.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 64.43 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.562 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -52.86 -49.07 88.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 75.23 109.303 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.61 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 72.02 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.9 mtp-105 -97.42 -16.83 20.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 74.34 110.363 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 63' ' ' TYR . 27.5 mt -87.65 -23.69 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 74.25 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -55.87 135.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 63.31 109.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.83 -11.04 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 75.31 110.027 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -100.68 131.07 46.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 75.32 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -91.21 147.47 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 74.53 110.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.8 m -76.09 151.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 74.35 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 24.2 p30 -102.63 30.89 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 71.11 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.7 tt0 -178.62 159.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 71.43 110.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.63 107.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.24 109.312 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.13 115.66 54.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 64.42 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 73.51 110.981 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 9' ' ' VAL . 29.9 ttm -64.22 124.03 20.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 74.4 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.45 -16.08 52.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 73.4 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 m -73.68 114.19 11.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 74.35 110.364 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 7.0 m -49.51 135.03 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 75.41 110.427 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 5' ' ' VAL . 4.7 mt -80.92 140.56 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.55 109.332 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.488 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 4.0 mmt -118.05 159.91 41.13 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 65.23 110.993 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.563 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -19.89 17.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.763 . . . . 74.31 111.034 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.06 7.0 44.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 71.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.424 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 8.5 mtm -115.22 20.26 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 73.02 111.037 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.495 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 56.6 t -135.28 140.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 74.25 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 26.8 mtmt -87.05 150.78 23.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 72.11 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.24 21.79 3.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.474 1.109 . . . . 64.34 111.009 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 24.1 t80 -83.21 172.93 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 72.12 110.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.576 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 170.95 148.84 0.16 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 44.53 109.361 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 71.41 110.972 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.312 -0.255 . . . . 70.11 110.312 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.31 134.11 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.54 110.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.405 ' OG ' ' OE1' ' A' ' 2' ' ' GLN . 0.7 OUTLIER -122.24 145.52 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.31 109.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 55' ' ' LEU . 69.3 t -54.5 134.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.42 109.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.27 124.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 70.15 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 100.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.13 109.325 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -64.27 -12.68 43.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 75.32 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 30.1 m -155.4 168.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 72.43 109.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' N ' ' HB2' ' A' ' 51' ' ' MET . 3.9 tp -63.58 99.96 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.22 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.5 OUTLIER -92.54 112.07 53.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 75.05 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.441 1.759 . . . . 75.03 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 3.8 tt -70.9 151.65 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.43 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.402 HD21 ' N ' ' A' ' 14' ' ' ASN . 1.7 m-80 46.92 49.27 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.42 109.264 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.2 m -121.48 120.72 35.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 73.31 110.412 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.2 40.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 54.01 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 72.9 mt -86.22 141.37 29.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.11 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.45 ' O ' ' CE ' ' A' ' 22' ' ' MET . 41.1 p -124.72 176.62 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.4 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -81.96 -14.37 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 75.23 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.22 10.9 51.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 55.44 111.044 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -113.12 -33.59 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 71.43 110.979 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.45 ' CE ' ' O ' ' A' ' 18' ' ' THR . 53.1 mtm -98.1 175.59 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 74.42 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -162.72 171.89 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 75.54 110.396 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.9 p -111.83 129.62 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.55 110.384 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.21 119.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 73.42 110.306 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 p -66.02 84.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 72.12 109.308 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -106.18 167.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.14 109.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -128.62 133.69 25.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 74.33 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.03 153.5 99.16 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.967 -2.514 . . . . 74.22 111.007 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 p -69.98 123.0 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 75.4 110.415 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.72 -149.95 23.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 42.52 110.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 83.3 mt -40.47 142.55 0.75 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 71.13 109.361 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 152.54 41.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 75.15 111.016 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -13.45 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 75.24 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -82.68 -12.77 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.3 110.271 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.33 -6.74 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 73.44 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.1 mt -53.3 -48.52 92.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 74.55 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -7.45 19.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 71.13 110.976 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -97.42 -19.75 18.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.51 110.316 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 63' ' ' TYR . 23.0 mt -84.88 -23.76 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.53 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.56 136.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 65.13 109.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.65 -11.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 75.33 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.2 mtm -100.88 133.55 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 73.42 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -91.88 148.84 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.41 110.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 30.9 m -81.01 154.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 73.33 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.3 p30 -105.66 32.29 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 74.35 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 7.0 tt0 -178.15 156.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.42 110.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -74.39 96.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 74.14 109.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' ILE . 75.6 t -94.09 115.35 65.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.22 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 75.41 111.008 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.415 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.4 ttm -69.01 117.22 10.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 71.14 110.97 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.43 -13.26 33.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.473 1.108 . . . . 55.22 111.003 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -74.77 117.84 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 75.24 110.367 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -49.64 136.07 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.42 110.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -78.81 130.63 35.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.43 109.292 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.422 ' N ' HD13 ' A' ' 55' ' ' LEU . 12.3 mmt -110.2 156.77 39.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 71.45 111.019 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.96 -20.62 16.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 64.23 111.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.12 12.0 37.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 74.25 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 mtm -114.55 7.0 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.52 110.998 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.52 135.19 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 75.1 109.268 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 2.9 mtmp? -81.2 152.57 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 73.04 109.284 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.26 3.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 73.23 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.9 t80 -83.62 173.06 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 74.51 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.597 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.47 151.03 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 65.23 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 71.11 110.989 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.2 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.506 0.193 . . . . 64.14 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -113.43 88.46 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 73.53 109.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.33 131.7 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 75.45 110.354 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.18 135.62 57.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 74.12 110.361 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.65 144.3 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 51.1 109.966 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 55' ' ' LEU . 79.0 t -54.62 134.86 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 71.22 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.446 HG22 ' CG1' ' A' ' 27' ' ' VAL . 54.0 t -138.51 123.88 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.15 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.85 99.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 60.44 109.336 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.3 -13.67 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 65.31 109.273 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -154.03 171.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 75.14 109.339 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.95 105.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 75.13 109.337 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.462 HG23 ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -100.6 108.41 53.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 72.2 109.268 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.5 Cg_endo -74.98 173.05 15.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.435 1.755 . . . . 74.52 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 tt -67.58 155.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 73.04 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.46 52.5 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 72.51 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 34.0 m -120.47 119.33 32.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 74.53 110.399 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.17 128.97 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.3 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 82.9 mt -85.26 141.04 30.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 73.41 109.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' CE ' ' A' ' 22' ' ' MET . 31.3 p -129.2 171.98 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 73.53 110.364 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.59 -14.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 71.31 109.284 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.79 10.75 55.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 75.31 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.52 -33.19 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 70.35 111.007 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 18' ' ' THR . 48.1 mtm -97.6 176.85 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 75.22 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -166.28 171.26 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 64.32 110.396 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -112.56 131.68 55.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 64.5 110.393 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.72 144.38 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.33 110.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -78.79 82.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 73.5 109.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -106.87 158.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 72.1 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -128.05 136.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.11 109.997 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.08 153.36 99.01 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 72.21 110.957 0.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 p -66.02 118.45 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.3 110.397 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.422 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -96.55 -149.98 26.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 74.24 110.979 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 55.3 mt -40.79 142.46 0.81 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 74.01 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 150.88 38.68 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 74.12 111.008 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.19 42.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 62.12 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.31 -10.78 59.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 71.44 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -3.81 37.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 72.45 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.564 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.93 -48.87 90.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 75.42 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -8.45 20.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 75.43 111.01 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 66' ' ' ALA . 14.0 mtp-105 -97.62 -16.1 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 73.4 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 55' ' ' LEU . 24.4 mt -88.52 -23.73 23.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 72.11 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -56.0 135.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 62.21 109.245 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.71 -11.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 74.25 109.976 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.92 132.98 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.05 111.014 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.72 154.51 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.4 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.9 m -87.21 156.45 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 73.42 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.0 p30 -107.28 32.0 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.31 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.3 tt0 -178.3 155.82 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 72.15 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.5 t -76.53 96.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 65.32 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' ILE . 78.0 t -94.59 115.68 65.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.33 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.71 40.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 73.53 110.99 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.1 ttp -62.2 118.83 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.52 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.44 -14.08 36.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 75.44 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -76.84 117.26 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 74.33 110.401 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.465 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 6.4 m -49.87 138.15 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 72.42 110.333 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 40' ' ' LEU . 5.8 tp -85.43 129.96 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 75.31 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.471 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.2 mmt -108.05 160.88 25.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 75.23 110.981 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.35 110.979 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.07 10.06 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 71.12 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -115.04 14.24 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 54.34 110.954 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 ' CE ' ' A' ' 43' ' ' MET . 56.1 t -133.36 139.47 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 74.42 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 55.5 mttt -87.42 150.38 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 75.14 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.74 18.83 8.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 72.43 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -84.41 173.17 11.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 74.23 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.7 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 53.33 109.293 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.16 27.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.544 1.812 . . . . 64.42 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 72.54 109.334 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.407 ' HG3' ' N ' ' A' ' 1' ' ' ASN . 6.4 tpp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.455 0.169 . . . . 71.4 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 0' ' ' MET . 7.9 m-20 -95.12 87.95 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 75.43 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.422 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.96 133.47 45.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 72.3 110.321 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.11 136.93 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.24 110.285 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.9 143.01 49.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 73.43 109.998 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 55' ' ' LEU . 71.0 t -56.16 134.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.22 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.6 t -137.06 127.62 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 55.41 109.249 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' CB ' HG13 ' A' ' 11' ' ' ILE . . . -53.29 98.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 75.21 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.21 -13.6 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 43.1 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 25.3 m -153.93 172.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.32 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.39 105.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.13 109.25 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.463 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -101.11 108.07 53.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 75.4 109.287 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 73.4 110.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 tt -68.18 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.42 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.0 p30 40.45 51.19 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.31 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.438 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 42.3 m -120.27 120.29 35.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 75.02 110.385 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 131.22 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 73.44 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 11' ' ' ILE . 79.1 mt -88.21 139.18 30.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 74.24 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' CE ' ' A' ' 22' ' ' MET . 26.1 p -124.72 173.33 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 75.5 110.409 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.37 -13.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.05 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.68 10.79 49.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 74.53 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -114.65 -31.48 6.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 74.52 110.996 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 18' ' ' THR . 52.4 mtm -97.58 176.37 5.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 74.41 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -165.48 169.74 15.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 73.13 110.415 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 34' ' ' ALA . 69.6 p -112.9 128.61 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 64.3 110.393 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 143.03 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 74.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 82.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 72.21 109.284 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.86 158.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 74.31 109.345 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.478 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.8 t -128.0 136.12 28.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 71.41 109.984 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.014 -2.494 . . . . 73.05 111.007 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 p -64.19 118.78 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 71.33 110.421 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.33 25.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 74.03 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 72.8 mt -42.0 142.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 75.33 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 149.16 36.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.572 1.828 . . . . 74.34 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB3' ' CG2' ' A' ' 24' ' ' THR . . . -63.76 -13.14 41.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 72.42 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.64 -10.75 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 75.03 110.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -98.28 -4.69 34.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 73.42 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.562 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.29 -49.15 86.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 73.35 109.309 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -8.39 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 70.34 110.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 9.7 mtp-105 -97.4 -22.96 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 74.12 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 63' ' ' TYR . 30.4 mt -80.57 -22.34 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 74.33 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.69 135.57 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 74.22 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.74 -11.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 75.32 110.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.0 mtm -99.93 134.19 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 74.13 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -93.3 151.93 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 73.24 110.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 18.7 m -84.67 151.59 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 75.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.9 p30 -102.39 33.78 3.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.23 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.5 tt0 -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 74.25 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.44 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.1 t -76.02 96.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 74.14 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' ILE . 96.2 t -95.26 113.22 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 73.32 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.39 38.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 72.31 111.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.0 ttp -63.34 120.14 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 74.24 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.92 -10.22 44.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 71.21 111.003 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 m -80.58 115.73 20.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 71.32 110.415 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.471 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 21.2 m -49.73 137.13 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.33 110.415 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 5' ' ' VAL . 5.7 mt -84.04 140.32 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 72.31 109.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.468 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 5.9 mmt -117.39 159.73 40.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 64.24 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -18.81 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 64.52 111.033 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -102.18 9.94 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.12 109.288 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.2 mtm -111.63 9.26 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 73.32 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.28 139.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 74.34 109.295 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 9.7 mttm -87.92 150.17 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 75.32 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.1 16.35 18.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 74.13 111.034 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -82.92 173.07 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 74.13 111.011 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.33 150.5 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 75.25 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.98 23.63 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 73.2 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.22 109.303 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.9 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.507 0.194 . . . . 73.14 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -134.02 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 74.02 109.261 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 131.71 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.34 110.287 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.05 134.24 56.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 75.44 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.37 143.3 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 73.43 109.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG11 ' CD2' ' A' ' 55' ' ' LEU . 66.1 t -54.63 134.93 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.45 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.7 t -137.16 126.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.1 109.285 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.68 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 74.52 109.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.41 -13.44 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 74.44 109.311 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 m -153.35 169.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 71.22 109.362 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.2 tp -66.13 92.62 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.21 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -83.48 113.95 50.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.34 109.333 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.5 Cg_endo -74.94 172.65 15.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 64.44 111.0 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.3 tt -71.81 150.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 72.21 109.31 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.401 ' ND2' HG12 ' A' ' 13' ' ' ILE . 56.0 m-80 47.3 50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 72.4 109.356 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -124.45 119.37 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 72.43 110.425 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.18 133.93 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 63.3 mt -87.07 143.69 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.33 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.436 ' O ' ' CE ' ' A' ' 22' ' ' MET . 28.8 p -127.7 171.84 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.24 110.423 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -77.87 -13.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 65.43 109.324 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.41 10.81 50.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 71.42 111.03 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.8 mtm -115.69 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 72.44 110.994 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -97.4 176.89 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 71.41 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -166.1 170.83 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 74.25 110.398 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -113.54 128.81 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 75.35 110.402 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.33 144.23 18.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 72.03 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.38 81.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.24 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.4 m -106.52 159.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 74.4 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.19 135.96 28.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 72.33 110.004 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.01 153.39 99.12 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.997 -2.501 . . . . 74.0 110.975 0.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 p -66.88 118.94 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 73.23 110.415 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.459 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -97.11 -149.59 25.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 63.54 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 57.0 mt -40.48 142.46 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 72.33 109.269 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 151.21 39.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 75.4 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.82 -13.05 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 75.41 109.305 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.84 -10.69 59.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 72.32 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -97.6 -5.4 35.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 74.33 109.298 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.564 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -51.82 -49.07 85.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 74.31 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 71.33 110.932 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.1 mtp-105 -97.49 -19.86 18.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 65.04 110.289 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' CD1' HD22 ' A' ' 55' ' ' LEU . 18.5 mt -84.11 -22.6 31.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 73.24 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.97 135.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 74.21 109.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -10.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.1 109.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -100.03 131.1 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 61.31 110.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.03 157.21 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 74.42 110.356 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 24.4 m -90.11 156.05 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 74.45 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.8 p30 -107.76 31.88 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 75.2 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.4 tt0 -178.64 156.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.44 110.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.7 t -77.71 102.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 75.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.8 114.88 64.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 75.54 109.306 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 138.02 22.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 65.23 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.421 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -43.47 120.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 60.21 110.988 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.39 -6.19 45.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 62.33 111.026 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 7.4 m -83.48 118.03 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 72.44 110.411 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.458 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 5.6 m -49.72 136.47 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 71.31 110.414 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.458 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.5 tp -84.59 130.33 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 64.23 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.468 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.1 mmt -107.79 160.94 24.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 75.4 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.03 -22.36 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 63.42 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 7.69 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 60.4 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.7 mtm -113.18 18.15 18.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 73.11 110.953 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.26 135.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.23 109.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 8.4 mtmm -85.73 148.89 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 75.34 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.11 15.63 22.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 73.33 110.994 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.587 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 17.1 t80 -82.8 172.9 12.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 74.43 111.006 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.587 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 170.73 150.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 65.25 109.268 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -176.14 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 72.25 111.019 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 60.2 109.29 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.502 0.191 . . . . 72.11 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -133.07 87.74 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 73.44 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.36 133.35 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 74.11 110.287 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.19 140.56 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.34 110.278 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.7 142.85 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 72.51 110.01 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 55' ' ' LEU . 70.3 t -54.66 133.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 74.31 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -137.69 118.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 74.24 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.01 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.54 109.262 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -65.35 -11.82 45.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 70.12 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 33.9 m -155.58 170.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 64.24 109.317 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.5 101.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 72.43 109.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -95.53 111.1 54.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 75.51 109.274 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.06 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 74.5 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 47' ' ' GLN . 9.0 tt -68.93 154.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 p30 40.89 53.32 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 71.13 109.298 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.2 m -122.96 119.57 30.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 75.31 110.402 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.15 128.76 25.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 65.24 109.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 11' ' ' ILE . 59.6 mt -84.55 143.68 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 71.11 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CE ' ' A' ' 22' ' ' MET . 39.8 p -127.14 175.99 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.44 110.391 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -81.03 -15.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.55 109.322 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.86 10.68 55.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 73.23 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -113.99 -31.78 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 73.33 111.001 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 18' ' ' THR . 57.3 mtm -98.24 173.05 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 75.52 110.977 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 t -163.35 169.45 19.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 74.43 110.4 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -112.05 128.45 56.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.14 110.377 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.2 142.46 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 74.45 110.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 t -75.56 82.55 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.53 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -106.32 160.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 74.4 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -130.62 136.3 28.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 74.2 109.986 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.07 153.45 99.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.011 -2.495 . . . . 64.34 110.989 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 p -64.59 116.89 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 73.45 110.417 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.67 -148.92 24.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 63.04 110.979 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 82.5 mt -40.57 142.41 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 72.41 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 151.12 39.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 44.1 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.54 -13.9 45.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.5 109.334 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.87 -12.97 58.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.23 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.37 -5.58 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 73.53 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -53.66 -48.54 92.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 74.03 109.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -7.48 19.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 63.33 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.41 -19.72 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 73.31 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 HD21 ' CE2' ' A' ' 63' ' ' TYR . 24.3 mt -84.88 -23.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 74.04 109.244 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -55.37 136.28 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 64.52 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.36 -11.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 62.41 110.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.8 mtm -100.31 133.24 45.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 75.22 111.019 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -91.17 149.46 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 65.34 110.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.6 m -82.36 156.98 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 75.34 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.1 p30 -107.64 30.98 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 73.35 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.6 tt0 -177.06 156.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.32 110.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.4 t -74.78 96.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.01 109.326 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 11' ' ' ILE . 85.1 t -94.2 114.16 62.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.35 109.284 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 163.35 35.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 64.22 111.012 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 9' ' ' VAL . 33.0 ttm -66.18 118.55 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 75.32 111.024 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.79 -14.64 34.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 65.04 111.02 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -74.23 118.76 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 74.11 110.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.9 m -49.77 139.81 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.4 110.396 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.24 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 73.2 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.465 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 15.5 mmt -110.91 157.34 38.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 72.21 110.957 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -23.56 13.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 73.43 111.024 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 14.52 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 74.14 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -116.34 7.0 13.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 71.22 110.986 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -128.01 137.8 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 75.05 109.31 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 15.3 mtmt -85.0 149.17 25.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 73.25 109.268 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.73 17.35 14.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 72.52 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.4 t80 -82.81 173.08 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 74.21 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.599 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.74 151.21 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 75.24 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.82 30.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 70.05 111.003 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 74.04 109.281 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.509 0.195 . . . . 72.21 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -82.35 88.97 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 75.53 109.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.7 133.61 44.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 70.11 110.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.0 139.1 39.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 74.23 110.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.77 143.9 50.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.12 110.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 55' ' ' LEU . 59.4 t -54.72 136.38 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 72.34 109.329 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.5 t -139.22 127.29 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 72.42 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.54 99.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 74.5 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.23 -13.53 38.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 65.43 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 33.5 m -156.56 173.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.03 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.36 104.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 73.1 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.458 HG22 ' CE ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -99.88 108.85 53.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 70.03 109.285 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.95 172.3 16.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 72.13 111.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt -67.43 155.11 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.53 109.307 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 p30 41.06 52.48 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 64.13 109.28 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.43 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 47.4 m -120.22 120.21 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 72.11 110.408 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.15 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.24 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 83.1 mt -85.22 140.31 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 73.21 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 p -127.73 172.19 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 74.12 110.368 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.14 -13.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 73.33 109.282 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.15 10.77 51.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 62.4 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.458 ' CE ' HG22 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.55 -33.71 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.764 . . . . 74.11 110.987 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.7 mtm -97.79 172.89 7.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 74.14 110.988 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -163.24 170.06 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 70.44 110.419 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.442 HG23 ' CB ' ' A' ' 34' ' ' ALA . 76.9 p -111.42 136.17 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 75.51 110.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 143.31 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.04 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -77.83 81.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 71.54 109.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.2 m -106.43 158.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 74.53 109.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -127.38 135.9 28.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 75.04 109.989 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.977 -2.51 . . . . 72.21 111.023 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 p -67.4 121.17 15.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 72.42 110.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -98.0 -150.14 25.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 71.3 110.99 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 40.2 mt -41.92 142.35 1.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 72.23 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.78 34.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 73.43 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -62.69 -16.95 59.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.41 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.96 -3.18 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 63.13 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.53 -1.79 16.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.24 109.302 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -52.38 -48.23 90.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 73.4 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 73.53 111.027 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -97.56 -26.03 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.31 110.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' CD1' HD21 ' A' ' 55' ' ' LEU . 25.1 mt -77.5 -25.46 50.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 72.5 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.52 136.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 70.22 109.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.83 -11.18 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 73.53 109.984 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.91 129.88 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.44 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.91 156.81 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 75.33 110.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.8 m -89.95 153.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 73.44 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.1 p30 -105.92 32.29 4.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 42.33 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.8 tt0 -178.61 156.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 73.22 110.253 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.4 t -76.22 97.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.45 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 84.3 t -94.94 111.52 54.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 74.32 109.281 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 73.01 111.024 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.5 ttm -53.95 121.43 8.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 72.24 110.966 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -15.52 48.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 51.44 111.033 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.432 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 38.6 m -73.93 114.2 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.777 . . . . 72.22 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.442 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.9 m -49.96 133.21 22.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 74.21 110.442 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.6 tp -81.78 130.2 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 64.23 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.471 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.1 mmt -108.04 161.08 24.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 75.23 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.572 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -20.57 16.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 73.43 110.991 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.25 7.25 44.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 64.32 109.296 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.1 mtm -113.0 23.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 74.33 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 98.5 t -140.7 143.52 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 73.23 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.1 mttt -89.81 144.22 26.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 71.41 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.23 28.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 65.42 110.995 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 21.7 t80 -77.07 172.09 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 72.14 111.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.641 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.28 150.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 62.44 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.25 3.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 72.33 110.978 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 63.31 109.355 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 18.6 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.501 0.191 . . . . 74.25 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.89 88.34 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 71.4 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.427 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.73 133.51 45.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.01 110.288 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.67 133.68 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 74.13 110.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.88 144.69 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.14 109.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.466 HG12 ' CD2' ' A' ' 55' ' ' LEU . 53.5 t -54.8 136.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 73.53 109.234 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' CG1' ' A' ' 27' ' ' VAL . 59.7 t -140.74 124.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 73.1 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.16 98.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 60.24 109.283 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.16 -13.64 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 75.21 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 36.0 m -154.82 171.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 63.41 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.61 105.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 75.43 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.453 HG23 ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -101.16 107.88 52.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 74.5 109.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 60.44 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.5 tt -69.43 151.62 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 74.34 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.477 HD21 ' NZ ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 47.9 48.02 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.43 109.314 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.425 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 53.4 m -119.27 118.56 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 74.33 110.358 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.58 130.28 31.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.11 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 80.5 mt -83.5 141.37 31.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 74.41 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 p -129.4 171.71 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 74.15 110.368 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.25 -15.17 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 74.14 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.49 10.7 56.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.091 . . . . 75.14 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.34 -33.33 4.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 74.21 111.001 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.0 mtm -97.33 175.01 6.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.4 110.972 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.402 ' HB ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 t -165.41 169.66 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 74.22 110.403 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.447 HG22 ' CB ' ' A' ' 34' ' ' ALA . 71.9 p -111.72 131.15 55.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 75.22 110.38 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.14 147.39 17.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 75.04 110.269 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 t -81.07 81.09 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 75.31 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG1' HG23 ' A' ' 6' ' ' VAL . 3.3 m -106.46 158.62 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 74.54 109.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.0 t -128.11 136.06 28.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.13 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.95 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.026 -2.489 . . . . 63.35 111.038 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 p -66.71 119.19 11.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.53 110.397 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.13 -149.37 25.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 71.14 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 41.5 mt -42.01 142.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 74.42 109.259 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 148.57 35.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 71.04 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' CB ' HG22 ' A' ' 24' ' ' THR . . . -63.35 -15.29 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 74.33 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.33 -6.75 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 75.51 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -106.22 -2.65 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 73.4 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.3 mt -52.49 -48.07 91.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 74.32 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.6 Cg_endo -74.95 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.803 . . . . 73.04 111.053 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 2.8 mtp-105 -97.46 -27.67 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 75.35 110.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' CD1' HD21 ' A' ' 55' ' ' LEU . 23.8 mt -75.84 -24.68 55.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.43 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.26 136.18 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 74.44 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.75 -11.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 61.51 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -100.61 128.75 46.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.24 111.053 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -86.43 158.14 19.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 71.23 110.292 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 19.6 m -89.69 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.41 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -105.07 32.64 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 65.23 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.9 tt0 -178.55 156.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 74.23 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.0 t -75.52 97.05 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 74.31 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 94.9 t -96.04 112.63 60.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 71.23 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 158.11 42.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 71.33 110.989 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 ttp -59.62 119.23 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 74.1 111.033 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.8 -14.67 37.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 75.23 111.011 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.404 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 18.4 m -76.18 115.6 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 73.43 110.428 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.448 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 5.9 m -49.65 137.12 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.14 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 5' ' ' VAL . 6.4 tp -85.19 130.2 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 72.21 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.5 mmt -107.69 160.96 24.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 70.14 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.0 -20.82 16.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 60.24 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.49 5.83 46.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 74.21 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.408 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 11.4 mtm -112.34 24.18 12.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 72.13 110.958 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 93.8 t -140.41 143.45 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.14 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 10.9 mtmt -89.06 146.28 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.42 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.38 16.44 15.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.12 . . . . 73.32 110.989 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 26.2 t80 -77.86 172.71 13.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 71.42 111.035 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.639 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.57 149.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.44 109.324 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.14 18.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 75.33 110.999 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.404 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 65.55 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.523 0.201 . . . . 74.41 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -70.58 88.24 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 65.43 109.281 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.71 133.44 45.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 72.14 110.278 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.97 133.32 48.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 72.34 110.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.78 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 65.21 109.968 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 55' ' ' LEU . 74.9 t -54.64 134.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 70.12 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.42 127.21 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.32 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' CB ' HG13 ' A' ' 11' ' ' ILE . . . -54.06 100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 62.44 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.28 -13.58 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 109.313 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 m -152.91 168.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 73.43 109.295 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.3 tp -63.97 94.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.44 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.425 HG13 ' CB ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.61 113.74 52.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 73.45 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.96 173.1 15.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.519 1.799 . . . . 54.34 111.036 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 tt -72.61 152.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 72.44 109.29 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 46.74 48.37 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 72.31 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 47.5 m -121.66 121.25 36.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.24 110.406 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.19 136.16 43.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 73.21 109.328 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 81.2 mt -87.85 141.06 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 71.11 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 p -127.88 171.3 11.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 73.45 110.421 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -76.94 -14.67 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 73.14 109.324 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.18 10.72 55.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 64.33 111.024 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.95 -34.28 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 73.52 111.018 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 49.0 mtm -97.38 177.21 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 74.45 110.997 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -166.76 171.39 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.22 110.372 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.43 HG21 ' CB ' ' A' ' 34' ' ' ALA . 71.9 p -112.5 126.98 55.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 70.41 110.403 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.74 142.94 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 75.43 110.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -77.21 81.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 73.2 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -106.76 159.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.25 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.478 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.48 135.98 28.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 75.31 109.981 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -74.99 153.45 99.17 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.982 -2.507 . . . . 64.23 110.989 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 p -66.63 119.09 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 75.5 110.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.432 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.4 -149.9 26.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 33.13 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 36.1 mt -40.55 142.29 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 73.42 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.98 149.39 36.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 64.12 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -63.89 -15.54 59.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 72.45 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -78.58 -8.02 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 74.41 110.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -104.51 -1.77 26.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.21 109.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.57 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -52.45 -48.0 91.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 73.15 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.779 . . . . 74.31 110.974 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -97.51 -26.77 14.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 60.14 110.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' CD1' HD21 ' A' ' 55' ' ' LEU . 21.4 mt -76.85 -24.35 52.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 72.24 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.72 136.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 73.55 109.264 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.8 -11.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 71.22 109.99 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -98.86 128.57 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.23 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -86.03 157.42 20.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 73.34 110.271 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 24.5 m -92.14 151.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 64.11 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.9 p30 -104.95 32.33 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.12 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.433 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.7 tt0 -178.57 156.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 73.31 110.28 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.433 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -77.81 103.54 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 72.42 109.34 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.0 t -97.25 114.09 64.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 70.33 109.284 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 141.01 26.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 72.22 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.422 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -45.68 119.69 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 73.33 111.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.76 -5.73 43.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.137 . . . . 72.22 111.003 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.416 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 14.4 m -83.64 116.94 22.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.74 . . . . 64.24 110.358 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 7.4 m -49.74 135.77 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 74.2 110.366 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 5' ' ' VAL . 6.6 tp -84.11 130.3 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 71.35 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.47 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 8.4 mmt -107.14 161.26 23.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 75.34 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.95 -20.6 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 74.43 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 7.08 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 63.42 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -111.71 23.89 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 64.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -146.58 133.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.44 109.319 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 12.6 mttm -81.56 149.33 28.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.43 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.18 13.85 30.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 72.1 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.6 t80 -78.43 171.64 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 75.31 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.645 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.29 149.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 64.12 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.12 3.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 73.55 111.01 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 62.32 109.279 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.528 0.204 . . . . 65.24 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -131.18 88.48 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.25 109.288 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.94 133.52 46.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 73.11 110.286 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -68.78 134.33 49.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 71.01 110.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.92 143.14 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.11 109.992 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.457 HG12 ' CD2' ' A' ' 55' ' ' LEU . 71.6 t -54.64 135.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 72.42 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.98 125.51 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 73.33 109.254 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.13 98.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.54 109.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.18 -13.58 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 75.23 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.451 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 35.1 m -155.47 173.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 74.03 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.31 104.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 72.21 109.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG22 ' CE ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -100.29 108.56 53.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 74.35 109.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.5 Cg_endo -74.95 172.7 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 71.41 111.025 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.37 155.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 74.31 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.2 p30 40.54 51.75 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 61.14 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 53.2 m -118.79 118.86 32.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.45 110.351 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.6 125.97 14.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.01 109.289 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 75.6 mt -82.8 139.81 33.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 73.04 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.427 ' O ' ' CE ' ' A' ' 22' ' ' MET . 12.9 p -127.81 171.42 11.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 72.41 110.417 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.63 -12.96 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 71.44 109.322 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.62 10.71 49.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 73.11 111.001 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -115.61 -31.97 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 72.42 111.014 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' A' ' 18' ' ' THR . 47.7 mtm -98.75 175.28 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 71.24 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -164.19 170.46 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 63.14 110.428 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.46 HG21 ' CB ' ' A' ' 34' ' ' ALA . 74.3 p -113.52 128.18 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.53 110.37 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.65 143.06 19.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 61.22 110.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.11 81.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 74.21 109.303 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.4 m -106.94 160.86 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 74.3 109.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.46 135.87 28.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 74.12 110.063 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.4 99.15 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.02 -2.492 . . . . 71.24 111.013 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 p -66.97 118.98 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 72.11 110.437 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.06 25.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.132 . . . . 72.4 111.01 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 55.7 mt -41.58 142.46 1.02 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 73.2 109.329 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.02 150.58 38.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 74.43 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -63.69 -12.92 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 71.4 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -80.7 -11.45 59.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.23 110.273 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.1 t70 -96.65 -5.83 38.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 73.13 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -51.24 -49.3 82.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.14 109.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -9.57 20.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 75.41 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.5 mtp-105 -97.23 -16.06 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 71.44 110.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CD1' HD23 ' A' ' 55' ' ' LEU . 22.9 mt -88.48 -22.8 23.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 74.42 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -57.0 135.94 20.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 74.21 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.62 -11.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 65.5 109.969 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.2 132.65 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 71.1 110.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -92.2 145.85 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 72.43 110.276 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.3 m -77.7 155.9 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 74.52 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.3 p30 -106.31 31.92 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.23 109.265 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.4 tt0 -178.55 155.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.05 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.4 t -75.55 96.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.31 109.306 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 81.7 t -94.43 113.49 61.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 75.24 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 158.52 42.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 74.33 111.0 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 9' ' ' VAL . 32.3 ttm -60.02 121.3 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.42 111.009 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.07 -12.12 48.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 54.32 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.6 m -78.71 116.06 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 64.22 110.363 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.429 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.77 137.55 16.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 74.4 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD2' HG12 ' A' ' 5' ' ' VAL . 5.8 tp -84.62 129.99 34.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 71.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.465 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 11.6 mmt -108.12 159.42 30.67 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 71.03 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.572 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.97 -21.46 15.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 62.33 111.002 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.67 9.28 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 73.34 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.2 mtm -116.36 15.33 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 65.45 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 62.1 t -131.51 139.31 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 75.24 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 20.3 mtmt -86.92 150.46 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 74.22 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.27 19.54 5.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 64.54 110.99 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.584 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 23.0 t80 -83.92 172.99 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 75.25 111.036 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.584 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 170.7 148.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 71.13 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 176.4 9.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 71.1 111.03 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HB1' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 63.4 109.293 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.484 0.183 . . . . 75.53 110.988 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -132.88 88.82 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 70.32 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.58 131.55 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.14 110.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.79 130.69 47.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 72.43 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.23 143.97 47.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 70.24 110.012 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 55' ' ' LEU . 72.3 t -54.6 134.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 73.34 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.0 t -137.78 121.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.43 109.311 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.37 102.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.51 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -67.61 -10.41 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 44.42 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 27.6 m -157.75 169.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 75.41 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.0 tp -64.89 93.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 72.21 109.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -84.18 114.07 52.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 73.53 109.266 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 74.12 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tt -70.55 152.64 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 74.4 109.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 42.92 53.4 5.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.01 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 m -123.8 126.5 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 72.34 110.382 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.52 130.82 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 54.31 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 64.8 mt -83.5 142.12 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 71.31 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -127.74 170.82 12.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 73.24 110.427 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.96 -13.55 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 73.33 109.304 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.82 52.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 52.24 111.062 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -115.57 -33.8 5.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 74.44 111.002 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 mtm -97.76 169.76 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 74.43 111.006 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -158.94 170.08 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 75.12 110.395 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.448 HG23 ' CB ' ' A' ' 34' ' ' ALA . 82.3 p -111.56 130.27 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.4 110.355 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.9 145.49 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 75.52 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.99 82.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.22 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -106.52 158.78 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 74.55 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.2 t -127.79 135.99 28.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.04 109.955 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.3 99.09 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.947 -2.522 . . . . 74.2 111.039 -0.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 p -65.82 117.77 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 71.54 110.395 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.08 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 71.13 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 93.3 mt -40.77 142.49 0.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 74.23 109.293 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 150.89 39.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 74.1 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -63.62 -13.36 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 73.32 109.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.9 -13.91 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 73.24 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.21 -6.09 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 64.24 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.8 -48.68 90.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.31 109.32 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 70.15 111.008 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -97.58 -17.34 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.25 110.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD22 ' CE2' ' A' ' 63' ' ' TYR . 14.4 mt -87.73 -23.55 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.44 109.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -56.16 136.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 75.33 109.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.27 -10.95 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 64.53 110.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.409 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.38 131.81 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.25 111.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -86.54 149.9 24.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 73.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' CG1' HD11 ' A' ' 17' ' ' LEU . 16.2 m -89.71 145.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 74.52 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.4 p30 -92.28 25.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 73.13 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -175.05 148.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 73.24 110.298 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 12' ' ' PRO . 2.5 p -77.94 96.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 75.22 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' ILE . 59.8 t -83.71 121.08 76.1 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 74.24 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.32 26.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 74.41 110.951 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.409 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 45.0 ttp -47.59 119.83 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 74.1 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.03 -9.73 39.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 53.41 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.464 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 23.4 m -82.49 122.22 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 75.22 110.44 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.442 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 9.1 m -52.72 139.88 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 73.1 110.416 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -82.69 127.44 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 75.14 109.291 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.419 ' N ' HD13 ' A' ' 55' ' ' LEU . 18.8 mmt -107.5 157.38 35.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 74.22 111.015 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.6 Cg_endo -74.96 -26.99 10.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 71.21 111.06 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.47 17.17 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.31 109.292 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.06 7.73 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.31 110.966 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 60.3 t -128.45 135.23 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.2 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 13.1 mtmt -83.73 147.62 27.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 74.43 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.14 15.47 22.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 72.23 111.003 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.3 t80 -81.96 173.24 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 74.14 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.94 150.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 72.3 109.318 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.08 25.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 70.42 110.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 63.23 109.306 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.5 ttt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.57 0.224 . . . . 74.01 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -117.71 88.64 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.45 109.305 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -102.06 133.42 46.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.35 110.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.31 137.54 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.24 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.32 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.1 109.967 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 55' ' ' LEU . 74.9 t -54.59 134.93 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 74.5 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 27' ' ' VAL . 61.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 71.21 109.3 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.45 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 71.45 109.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -12.34 43.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 72.33 109.297 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -153.57 170.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 71.42 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 tp -64.46 103.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 74.43 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -99.01 109.56 54.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.22 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 73.33 111.023 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.17 156.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 62.03 109.359 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 40.65 51.26 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 53.44 109.259 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 54.4 m -119.96 118.6 31.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 74.54 110.407 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.38 127.35 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 75.22 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 73.3 mt -84.16 139.8 32.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 73.13 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.45 ' O ' ' CE ' ' A' ' 22' ' ' MET . 30.0 p -125.51 172.64 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 73.22 110.402 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.83 -13.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.44 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.75 10.69 49.2 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 71.43 111.02 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.4 mtm -114.88 -31.67 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 74.45 110.991 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.45 ' CE ' ' O ' ' A' ' 18' ' ' THR . 50.0 mtm -99.13 177.09 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 53.55 111.005 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -167.46 170.59 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 71.54 110.387 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 34' ' ' ALA . 81.4 p -112.8 128.07 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 75.0 110.431 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.34 141.69 17.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 73.43 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.93 81.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 74.34 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -107.21 161.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 72.25 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.93 135.97 28.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 74.31 110.018 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.53 99.22 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.981 -2.508 . . . . 75.1 111.0 0.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 p -67.84 119.15 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.4 110.353 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.78 -150.22 26.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 63.22 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 56' ' ' MET . 93.6 mt -40.29 142.61 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 75.22 109.273 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.94 150.47 38.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 62.21 111.03 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB2' ' CG2' ' A' ' 24' ' ' THR . . . -63.47 -13.27 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 72.14 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -80.15 -9.47 59.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 75.14 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.463 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.6 t70 -100.26 -4.81 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 63.11 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.1 mt -52.31 -48.9 87.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 75.22 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.25 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.454 1.765 . . . . 62.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.5 mtp-105 -97.45 -23.14 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.15 110.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD1' HD21 ' A' ' 55' ' ' LEU . 25.0 mt -80.11 -23.04 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 74.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.42 135.57 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 73.34 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.82 -11.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 75.53 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.04 132.43 45.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 72.44 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.49 148.89 21.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 74.35 110.289 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.3 m -78.63 151.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 74.45 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 20.5 p30 -102.74 30.35 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 74.55 109.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.5 tt0 -177.75 159.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.22 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.5 t -78.57 108.61 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 63.43 109.29 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.1 118.77 47.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 72.31 109.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.67 30.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 73.54 111.021 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.81 121.61 15.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 74.42 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.82 -17.23 39.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 73.41 110.967 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -72.23 115.67 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 71.34 110.386 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.4 m -49.44 132.52 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 74.05 110.434 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 5' ' ' VAL . 7.4 tp -79.82 132.69 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 75.23 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.485 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.5 mmt -108.59 161.72 22.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 74.23 111.037 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -24.7 12.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 75.12 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.91 10.07 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 61.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.4 mtm -113.03 16.22 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 64.22 111.036 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.5 t -137.82 141.88 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 72.24 109.278 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 57.4 mttt -89.04 150.77 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 72.1 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.81 18.65 11.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 65.15 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 16.5 t80 -84.21 172.94 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.772 . . . . 70.14 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.6 150.44 0.17 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 72.5 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 73.34 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 75.43 109.302 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.1 ttm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.516 0.198 . . . . 74.53 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -135.61 92.42 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.53 109.31 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.47 130.53 49.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 63.35 110.339 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.46 131.27 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 74.34 110.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.35 145.14 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 73.1 109.968 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 55' ' ' LEU . 60.1 t -55.19 135.48 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 75.4 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.0 t -137.11 120.85 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 75.12 109.299 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.22 109.31 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.11 -13.62 38.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 71.42 109.277 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -152.35 169.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 73.12 109.276 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.31 101.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 71.4 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 HG23 ' CE ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -96.94 110.65 54.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.32 109.274 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.05 173.26 14.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.44 1.758 . . . . 74.32 111.02 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 15.6 tt -68.59 154.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 73.41 109.334 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 42.93 50.83 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.33 109.26 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.436 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 41.3 m -121.4 118.23 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 55.13 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.48 129.27 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 65.41 109.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 68.2 mt -86.03 140.65 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 74.02 109.337 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -127.38 169.79 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 72.34 110.377 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -75.72 -13.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 73.43 109.259 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.73 10.65 56.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 75.04 111.034 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.8 mtm -117.02 -33.81 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 73.04 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.8 mtm -97.53 178.64 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.55 110.96 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.74 175.65 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.33 110.412 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 34' ' ' ALA . 68.9 p -116.15 136.01 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 74.42 110.437 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.47 140.72 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 73.14 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.1 t -77.73 82.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.31 109.294 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.413 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.8 m -106.59 163.36 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.31 109.272 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.58 135.22 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.3 109.986 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.69 99.3 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.966 -2.514 . . . . 72.55 111.009 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 p -69.59 118.31 12.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 73.31 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.72 -150.41 26.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 71.12 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 95.2 mt -40.46 142.64 0.74 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 73.35 109.277 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.94 38.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 72.34 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' A' ' 24' ' ' THR . . . -63.28 -13.42 38.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 61.51 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -79.66 -8.57 59.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 75.35 110.251 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -101.84 -4.9 25.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 64.02 109.339 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.565 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.2 mt -52.34 -48.94 87.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 72.2 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -8.02 19.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 64.31 111.02 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.8 mtp-105 -97.37 -24.05 15.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 73.23 110.264 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 55' ' ' LEU . 19.1 mt -79.21 -23.15 44.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 75.13 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.5 mt -56.69 135.62 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 71.24 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 t 84.7 -10.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.25 110.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.5 131.57 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.21 110.984 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.27 146.37 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.45 110.296 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.6 m -75.39 155.56 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 74.33 109.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 22.5 p30 -105.38 29.86 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 75.42 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.2 tt0 -178.55 159.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.33 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.4 t -77.99 109.05 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 73.34 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.21 119.48 45.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.3 109.324 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 164.38 33.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 74.43 111.037 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.6 ttp -66.15 121.58 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 74.13 110.967 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.94 -16.97 38.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 73.3 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 m -73.42 115.86 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 73.25 110.398 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.413 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 2.9 m -49.51 135.01 18.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 65.43 110.402 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 5' ' ' VAL . 7.4 tp -81.73 131.76 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 74.35 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.3 mmt -106.63 161.96 21.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 73.13 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.98 -24.07 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 74.33 111.008 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 6.87 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.35 109.334 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mtm -110.9 16.77 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 72.54 110.928 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.494 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 24.8 t -137.57 138.56 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 73.41 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 56.0 mttt -85.57 152.3 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.35 109.271 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.15 20.57 4.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 75.02 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 11.9 t80 -84.66 173.01 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 74.32 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.46 150.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 71.35 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.82 28.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 74.22 110.987 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 73.24 109.306 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.475 0.179 . . . . 74.2 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.01 93.69 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 61.42 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.5 129.81 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 73.41 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.76 132.08 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.51 110.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.79 142.86 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.11 109.959 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 55' ' ' LEU . 71.1 t -54.57 136.36 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 64.44 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.0 t -138.98 119.8 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.12 109.291 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -43.83 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 65.01 109.287 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -66.95 -11.2 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 73.24 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 27.4 m -157.69 170.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 75.43 109.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.43 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 73.31 109.34 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -82.36 114.14 49.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 73.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 73.35 111.025 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 tt -70.51 153.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.13 109.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 41.14 54.41 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 70.34 109.285 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.3 m -123.59 128.86 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 70.42 110.384 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.73 131.62 51.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 72.24 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 77.4 mt -84.87 140.49 31.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.12 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -125.78 173.8 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 75.31 110.37 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.98 -14.37 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 75.15 109.287 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.29 10.58 54.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 52.25 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -114.41 -32.43 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 72.33 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 62.6 mtm -97.73 168.82 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 75.53 111.022 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.65 166.44 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 73.25 110.427 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.9 p -109.22 134.95 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 74.4 110.4 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.24 143.95 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 75.22 110.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.65 81.68 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 53.3 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.32 157.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 63.51 109.295 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.66 135.59 27.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.02 110.043 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 153.06 98.9 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 74.23 111.022 0.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -69.65 118.82 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.02 110.419 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.26 -146.66 21.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 55.31 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 69.9 mt -42.76 142.67 1.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 72.45 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 150.91 38.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 75.31 110.982 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -12.61 39.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 74.31 109.324 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.79 -11.51 59.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 74.24 110.287 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.05 -4.91 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.14 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.564 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.1 mt -53.27 -48.66 91.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 64.35 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -7.67 19.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 71.11 111.01 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.39 -20.18 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 75.32 110.313 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD23 ' CE2' ' A' ' 63' ' ' TYR . 29.8 mt -83.43 -24.52 31.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 74.43 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.52 135.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.44 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.41 -10.98 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 74.01 109.96 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.78 130.56 45.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 51.03 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -84.38 153.14 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 74.31 110.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.95 144.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.43 109.311 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.6 p30 -92.83 28.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 71.32 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -178.57 148.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 72.15 110.311 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -78.47 96.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.01 109.349 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ILE . 58.5 t -83.55 121.33 76.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.24 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.74 25.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 72.42 111.027 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.3 ttp -47.26 120.29 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 70.21 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.42 -9.66 41.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 54.31 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.446 ' CG2' HG11 ' A' ' 49' ' ' VAL . 22.9 m -82.62 121.53 26.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 75.31 110.415 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 m -51.32 139.86 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.51 110.389 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.17 125.77 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 72.52 109.294 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.455 ' C ' ' CD1' ' A' ' 32' ' ' ILE . 14.5 mmt -105.61 156.75 35.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 75.22 111.005 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -27.67 9.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 72.54 111.0 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.39 17.07 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 70.32 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 mtm -119.95 11.95 11.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 64.31 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.4 t -133.47 137.1 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 71.02 109.297 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 46.4 mttt -86.19 146.12 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 74.12 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.89 13.79 34.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 74.31 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.602 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 13.0 t80 -81.15 173.23 12.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 74.04 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.69 150.52 0.2 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 72.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 73.55 110.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.12 109.31 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.52 0.2 . . . . 72.11 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -95.09 88.44 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 73.52 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.25 133.5 45.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 75.42 110.326 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.63 131.23 42.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.03 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.12 141.75 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 71.33 110.016 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 55' ' ' LEU . 69.2 t -54.55 134.66 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 70.22 109.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 23' ' ' THR . 56.1 t -138.59 119.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 74.21 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' HG13 ' A' ' 11' ' ' ILE . . . -46.23 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -13.59 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.34 109.278 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.9 m -153.44 170.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.45 109.264 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.7 104.79 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 74.14 109.303 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.461 HG21 ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -100.14 108.57 52.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.54 109.272 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.96 172.71 15.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 74.54 110.97 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.8 tt -67.96 155.92 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 71.14 109.323 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 40.25 51.7 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 73.55 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.434 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 39.9 m -120.31 120.25 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 71.31 110.423 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.66 129.82 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 75.33 109.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 80.4 mt -85.81 140.37 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 71.12 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.447 ' O ' ' CE ' ' A' ' 22' ' ' MET . 13.6 p -127.43 173.71 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 74.21 110.397 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.37 -14.15 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 74.2 109.327 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.92 10.75 52.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 70.21 111.02 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -114.71 -31.45 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 72.53 110.999 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.447 ' CE ' ' O ' ' A' ' 18' ' ' THR . 52.5 mtm -99.81 173.72 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.54 111.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 12.1 t -162.67 169.21 20.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 72.55 110.378 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.462 HG21 ' CB ' ' A' ' 34' ' ' ALA . 81.5 p -112.96 126.11 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 74.21 110.41 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.79 145.41 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 73.31 110.293 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.76 79.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.54 109.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.1 m -106.53 158.0 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 65.3 109.294 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.8 t -128.59 135.93 28.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 75.04 110.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 154.13 99.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.057 -2.476 . . . . 73.21 110.965 0.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.6 p -71.15 118.94 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 75.32 110.419 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' CA ' ' CE ' ' A' ' 56' ' ' MET . . . -95.01 -144.31 16.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 74.53 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 56' ' ' MET . 95.1 mt -43.07 140.71 1.91 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 70.25 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 148.09 34.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 72.51 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -64.13 -12.92 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 63.33 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.55 -9.91 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 62.02 110.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.88 -0.68 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 74.13 109.285 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.61 -48.82 89.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 75.15 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 74.12 111.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 mtp-105 -97.6 -18.16 19.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 71.1 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.5 mt -86.35 -23.76 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.96 136.28 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 74.35 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.73 -11.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.1 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.9 mtm -98.24 134.47 41.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 74.31 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -93.72 149.21 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 75.24 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.5 m -82.85 155.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 71.14 109.283 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.2 p30 -106.46 32.71 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.2 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.5 tt0 -178.41 156.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 73.34 110.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.1 t -76.43 96.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 71.11 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 89.7 t -94.8 116.15 66.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 64.01 109.285 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.81 36.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 74.34 110.964 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.12 118.02 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 75.3 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.87 -13.41 34.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 60.53 110.982 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -77.34 117.94 19.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 73.04 110.409 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -49.83 139.35 13.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 74.44 110.386 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 5' ' ' VAL . 6.7 tp -87.02 132.83 33.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 74.2 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.49 ' CE ' ' CA ' ' A' ' 31' ' ' GLY . 18.7 mmt -109.07 159.52 30.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.54 111.05 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -16.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 75.21 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -103.81 7.64 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.52 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -110.67 11.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.34 111.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.5 t -133.39 135.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 74.51 109.279 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 10.0 mttm -83.91 150.84 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 71.04 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.08 14.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 73.44 110.989 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 18.0 t80 -81.25 173.16 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 75.43 110.968 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.48 149.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 54.32 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.75 42.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 73.22 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' CB ' ' NE ' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 71.44 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' A' ' 0' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.485 0.183 . . . . 64.03 111.014 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -138.9 93.0 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 75.31 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.67 129.49 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 73.3 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.75 133.14 50.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.31 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.88 144.59 46.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.43 110.011 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 55' ' ' LEU . 68.9 t -54.56 135.82 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 71.23 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' CG1' ' A' ' 27' ' ' VAL . 52.8 t -139.79 118.81 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 75.43 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' CB ' HG13 ' A' ' 11' ' ' ILE . . . -46.42 99.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 62.11 109.253 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.1 -13.45 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 70.01 109.286 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.8 m -154.19 171.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 75.1 109.255 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tp -62.84 105.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 74.24 109.273 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG21 ' CE ' ' A' ' 21' ' ' MET . 0.5 OUTLIER -100.24 108.61 53.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 75.1 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 173.11 15.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 73.1 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -67.86 155.11 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 74.31 109.32 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 41.16 51.41 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.13 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 58.3 m -119.45 118.34 30.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 73.15 110.406 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 127.73 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 75.45 109.275 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 85.1 mt -82.5 138.56 34.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 75.31 109.273 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -127.46 168.42 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 74.14 110.418 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.8 p -75.03 -13.64 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.11 109.353 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.34 10.78 54.45 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.122 . . . . 33.52 110.973 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.02 -33.5 4.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 73.44 111.03 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.9 mtm -97.8 175.57 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 63.33 110.975 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -164.89 171.24 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 74.54 110.432 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 34' ' ' ALA . 70.1 p -113.01 127.94 56.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 72.5 110.406 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.78 140.2 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 75.54 110.272 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.35 82.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 72.34 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.5 m -106.55 161.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 73.23 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.483 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.3 t -128.43 135.44 27.56 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 71.35 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 153.26 99.07 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.983 -2.507 . . . . 75.24 110.987 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -67.51 119.03 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.22 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.459 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -97.08 -148.98 24.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 75.33 111.024 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 73.3 mt -41.1 142.56 0.86 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 74.31 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 149.73 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 63.55 110.998 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -64.31 -12.75 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 72.23 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.99 -10.06 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 70.45 110.341 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' LEU . 1.2 m-20 -100.34 -6.7 25.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.31 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.5 mt -51.95 -48.27 88.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 64.52 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -8.1 19.74 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 71.42 110.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -97.93 -24.72 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 73.04 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' ASP . 11.5 mt -77.49 -20.9 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.43 109.3 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.2 mm -54.84 134.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 75.32 109.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 3.3 t 85.03 -11.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 73.12 109.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -98.22 131.09 44.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.53 111.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.93 156.17 18.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 72.05 110.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 19.1 m -88.37 154.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 71.44 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.5 p30 -105.35 32.87 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.52 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.3 tt0 -178.5 155.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.35 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.436 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 3.3 t -76.3 96.78 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 72.13 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.0 t -94.76 115.63 65.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 75.43 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 65.11 110.989 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.8 ttp -61.39 119.98 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.41 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.33 -14.29 39.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 52.44 111.008 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -77.6 116.68 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 52.12 110.395 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.463 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.71 141.04 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 72.53 110.432 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.8 tp -87.96 130.27 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.5 109.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.459 ' CE ' ' HA2' ' A' ' 31' ' ' GLY . 7.4 mmt -106.38 161.16 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.24 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.96 -22.92 14.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 72.5 111.031 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -98.24 8.74 44.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 73.45 109.324 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 mtm -113.92 15.74 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 74.5 110.984 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.449 HG12 ' CE ' ' A' ' 43' ' ' MET . 48.3 t -135.73 137.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 64.12 109.266 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.2 mttt -86.68 149.95 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.41 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.49 17.8 13.8 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 64.35 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 16.3 t80 -83.36 173.25 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 75.04 110.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.37 149.87 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 73.24 109.284 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.63 2.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 70.1 111.023 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 63.31 109.303 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.0 tpt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.494 0.188 . . . . 74.33 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -146.15 92.76 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 74.33 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.43 129.67 47.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 74.22 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.43 131.66 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 64.31 110.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.97 145.76 42.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 71.11 109.998 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.457 HG11 ' CD2' ' A' ' 55' ' ' LEU . 67.7 t -56.42 135.28 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 54.33 109.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -137.26 123.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 74.33 109.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.63 102.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 71.4 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -67.3 -9.72 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 72.14 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 29.8 m -157.09 171.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 73.22 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -65.36 103.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 75.23 109.34 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.469 HG22 ' CE ' ' A' ' 21' ' ' MET . 0.2 OUTLIER -99.26 109.05 53.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 73.11 109.35 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 71.13 111.035 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.0 tt -67.72 154.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 71.15 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 42.3 50.68 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 74.14 109.301 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 54.7 m -120.36 117.47 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.23 110.37 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.13 129.17 20.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 74.3 109.282 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 71.5 mt -84.98 139.93 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.2 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -126.92 170.33 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 74.01 110.421 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.46 -13.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 75.24 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 10.73 55.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 72.02 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.469 ' CE ' HG22 ' A' ' 11' ' ' ILE . 1.2 mtm -116.51 -32.8 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 64.12 111.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.2 mtm -98.28 177.21 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.54 111.019 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.37 171.45 10.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 73.51 110.42 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.447 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.2 p -112.64 137.18 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 72.4 110.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.87 144.51 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.33 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.62 82.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 74.32 109.275 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.5 m -106.6 162.02 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 54.34 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -129.71 135.55 27.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 62.31 110.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.02 153.74 99.29 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 73.34 110.971 0.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -68.88 118.78 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 71.43 110.43 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.39 -150.24 26.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 53.24 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 56' ' ' MET . 79.6 mt -41.41 142.46 0.97 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 73.11 109.335 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.95 34.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.779 . . . . 74.22 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.13 -15.36 45.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 71.34 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.71 -1.99 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 72.35 110.292 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.71 -0.7 17.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 73.25 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.567 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -53.27 -48.42 92.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 75.32 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -7.55 19.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 74.34 110.98 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -97.62 -19.14 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 74.52 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.07 -24.36 28.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 75.23 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.18 135.99 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 73.24 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.79 -11.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 75.2 109.975 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.9 mtm -99.43 129.17 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 63.23 110.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -90.24 147.59 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 72.35 110.303 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -77.21 153.39 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.44 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 22.0 p30 -103.67 30.65 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 65.23 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.5 tt0 -178.63 159.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.11 110.336 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.79 107.95 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 74.33 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.8 116.91 51.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 73.25 109.275 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 165.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 61.21 110.949 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.7 ttm -65.93 124.34 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 64.24 111.027 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.56 51.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 72.44 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 m -76.12 114.91 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 73.1 110.38 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.44 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.7 m -49.53 134.93 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 74.31 110.405 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' CD2' HG11 ' A' ' 5' ' ' VAL . 7.6 tp -80.81 130.91 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 75.03 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.481 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.8 mmt -106.44 161.93 21.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 75.53 111.034 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.577 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -23.92 13.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 75.22 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.34 7.65 46.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 62.23 109.297 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -111.94 20.34 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.54 110.979 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.493 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 21.4 t -142.99 137.89 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 61.52 109.276 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 59.5 mttt -86.52 151.06 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 73.41 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.39 17.72 12.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 70.25 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 14.8 t80 -82.79 173.25 12.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 71.34 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.52 150.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 72.05 109.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.93 5.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 74.15 110.978 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 73.2 109.29 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.453 0.168 . . . . 75.1 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.23 88.66 2.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 75.31 109.32 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.92 133.6 45.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 73.34 110.348 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.84 134.06 48.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.03 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' A' ' 2' ' ' GLN . 0.8 OUTLIER -121.77 144.5 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 63.41 109.972 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.446 HG12 ' CD2' ' A' ' 55' ' ' LEU . 77.0 t -54.65 134.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.55 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.2 t -137.35 124.11 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 62.42 109.308 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.95 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 72.02 109.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.86 -13.07 41.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 70.44 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 27.4 m -156.12 172.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 74.14 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.14 92.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 75.13 109.256 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -83.59 114.06 51.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.2 109.322 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HA ' ' CG2' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.03 171.65 17.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.762 . . . . 73.44 110.947 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.409 HG12 ' ND2' ' A' ' 14' ' ' ASN . 19.5 tt -71.89 153.73 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 73.1 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 m120 44.2 50.18 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 72.25 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.5 m -121.04 128.24 52.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 65.25 110.44 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -58.3 135.49 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.12 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 82.1 mt -87.17 137.51 32.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 75.54 109.333 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 ' O ' ' CE ' ' A' ' 22' ' ' MET . 15.0 p -125.45 171.52 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 75.44 110.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.02 -13.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 74.43 109.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.73 10.47 52.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 34.2 111.029 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.5 mtm -115.07 -33.58 5.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 73.15 111.035 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.4 ' CE ' ' O ' ' A' ' 18' ' ' THR . 46.3 mtm -98.12 172.61 7.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 71.31 111.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.9 t -162.56 170.84 17.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.14 110.426 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.458 HG23 ' CB ' ' A' ' 34' ' ' ALA . 74.4 p -113.42 128.97 56.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 73.14 110.368 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.43 140.25 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 75.21 110.316 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.43 80.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 75.21 109.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.449 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.4 m -106.31 159.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 63.14 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.53 135.87 28.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.43 109.985 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.63 99.27 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 73.32 110.979 -0.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 p -69.1 119.51 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 73.0 110.391 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.41 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -96.66 -148.18 23.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 74.22 111.019 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 58.3 mt -41.66 142.42 1.05 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 72.44 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 148.97 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 71.24 111.026 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -64.74 -14.51 59.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 74.11 109.317 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.87 -7.99 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.54 110.31 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.91 -2.07 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 71.24 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.2 mt -52.26 -48.27 89.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 75.21 109.323 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.03 -6.28 17.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 75.24 111.01 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -97.44 -24.71 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.43 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 mt -79.45 -23.97 42.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 73.24 109.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.96 136.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 72.32 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.69 -11.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 74.41 110.02 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -98.56 130.52 45.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.45 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 45.5 mt-30 -85.11 155.94 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.42 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' ASN . 18.1 m -95.52 143.13 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 65.12 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 28.5 p30 -90.85 18.61 6.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 62.1 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.08 149.79 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 71.22 110.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -79.31 96.41 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 63.24 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ILE . 60.8 t -83.38 120.65 75.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 73.23 109.287 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 141.62 27.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 75.02 111.023 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -47.53 121.07 3.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 75.32 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.2 -7.83 48.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.423 1.077 . . . . 73.34 110.993 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -86.85 119.43 27.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 73.42 110.449 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.449 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 2.6 m -51.41 140.42 17.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 73.11 110.413 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.446 ' CD2' HG12 ' A' ' 5' ' ' VAL . 6.5 tp -87.55 129.69 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.54 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.468 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.5 mmt -105.98 161.07 23.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 72.34 110.985 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.01 -28.56 9.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 72.2 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -92.23 10.43 29.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 74.02 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -115.31 19.66 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.12 111.029 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.24 138.84 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 72.41 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.449 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 12.1 mtmt -85.8 146.17 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 70.13 109.274 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.45 14.29 26.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.57 1.169 . . . . 61.44 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.7 t80 -78.19 172.6 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 72.4 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.638 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.59 149.91 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.52 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.48 5.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 74.33 111.024 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.43 109.322 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.447 0.165 . . . . 73.43 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -124.11 88.61 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 74.52 109.309 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.423 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.53 133.51 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.25 110.272 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.47 136.97 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 65.25 110.32 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.62 143.22 50.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 110.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 55' ' ' LEU . 71.0 t -54.6 135.89 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.03 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.0 t -136.21 132.84 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 64.33 109.311 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 100.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 74.51 109.286 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.86 -13.02 41.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.11 109.285 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.4 m -154.1 167.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 73.15 109.317 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.82 92.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.02 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.22 114.09 50.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.11 109.337 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.06 173.16 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 71.12 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 tt -68.49 155.35 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 71.11 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 40.81 50.39 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 73.24 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 65.0 m -118.08 116.0 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 75.42 110.381 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.9 125.18 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 75.4 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 69.1 mt -78.99 141.61 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 71.22 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.419 ' O ' ' CE ' ' A' ' 22' ' ' MET . 2.2 p -126.17 171.66 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 75.22 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.03 -13.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.33 109.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.88 10.62 48.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.445 1.09 . . . . 61.23 111.019 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -115.28 -32.72 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.737 . . . . 72.02 110.985 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.419 ' CE ' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -98.2 170.61 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 73.04 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 t -160.34 169.06 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.04 110.402 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 HG22 ' CD1' ' A' ' 37' ' ' ILE . 70.9 p -113.68 127.63 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.1 110.377 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 145.56 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 73.14 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -76.08 80.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 70.11 109.328 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.3 m -106.3 159.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 72.34 109.329 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.58 135.97 28.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 72.15 109.977 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.97 153.67 99.29 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.042 -2.483 . . . . 74.21 111.034 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p -67.83 118.73 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.23 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -95.85 -152.19 28.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 71.11 110.956 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.13 142.32 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 75.32 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 149.12 36.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 72.25 110.981 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.51 -15.14 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 75.43 109.255 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.7 -0.72 35.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.03 -1.17 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 74.34 109.298 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -53.48 -48.57 92.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 75.23 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.93 -7.92 19.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 72.05 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 66' ' ' ALA . 16.1 mtp-105 -97.52 -18.39 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 75.51 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD1' HD23 ' A' ' 55' ' ' LEU . 20.8 mt -85.55 -24.48 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.13 109.305 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.2 mt -56.07 136.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 72.51 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.47 -11.09 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 54.42 109.995 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.427 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.84 128.59 45.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 72.21 111.01 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -87.98 152.89 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 61.31 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.4 m -85.48 154.98 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 72.02 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.0 p30 -105.78 30.99 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 74.03 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.6 tt0 -177.66 157.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 73.25 110.324 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -84.33 102.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.12 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -99.04 121.79 54.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 65.43 109.29 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.46 21.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 74.22 110.979 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.3 ttp -39.63 122.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 74.43 110.982 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.21 -12.46 48.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 63.45 110.994 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -76.25 114.45 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 71.34 110.378 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.512 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 4.1 m -49.56 127.61 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 75.41 110.391 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.7 tp -72.5 130.6 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.04 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.467 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.7 mmt -107.38 161.11 24.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 74.41 111.005 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.581 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 75.41 111.011 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.37 10.18 40.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.2 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 mtm -112.42 10.11 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 75.22 110.986 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.43 138.12 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 75.22 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 53.6 mttt -86.21 150.37 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 75.21 109.305 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 73.52 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 10.0 t80 -83.12 173.2 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 74.23 110.98 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.16 151.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 62.11 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.19 35.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 74.51 110.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 71.15 109.323 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.9 ptm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.464 0.173 . . . . 74.1 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -115.12 87.59 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 75.34 109.316 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.427 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -99.35 133.36 43.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 75.44 110.287 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -68.56 131.67 45.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.54 110.292 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.55 144.37 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 55.02 110.023 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 55' ' ' LEU . 70.3 t -54.6 135.24 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.35 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG23 ' CG1' ' A' ' 27' ' ' VAL . 53.4 t -139.85 122.99 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 72.11 109.321 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.19 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 51.3 109.286 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -63.25 -13.59 39.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 73.01 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 19.9 m -155.32 172.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 72.45 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.58 105.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 72.32 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.5 OUTLIER -100.75 107.98 51.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 75.12 109.296 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.98 173.2 14.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 74.14 111.0 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 tt -68.04 156.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 75.33 109.275 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 40.85 49.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.13 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 47.1 m -117.29 119.82 36.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 63.53 110.385 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 125.98 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 73.21 109.346 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 75.2 mt -78.08 144.43 36.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 74.34 109.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' SD ' ' A' ' 22' ' ' MET . 1.6 p -144.89 152.4 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 75.2 110.425 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.99 -30.12 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 65.42 109.295 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.96 11.26 57.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 75.41 110.983 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.2 mtm -120.94 -37.39 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 0.73 . . . . 65.31 111.038 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' ' O ' ' A' ' 18' ' ' THR . 2.8 mpp? -97.56 178.42 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 72.34 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 t -167.72 169.58 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 74.33 110.391 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.47 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 69.8 p -110.26 126.35 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 71.41 110.381 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.41 144.22 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 74.2 110.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.7 81.94 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.45 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.456 ' CG1' HG23 ' A' ' 6' ' ' VAL . 3.2 m -107.48 161.79 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 74.34 109.331 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.8 t -130.49 135.96 28.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 72.33 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.22 99.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.009 -2.496 . . . . 72.34 111.048 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 p -67.8 118.81 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.5 110.374 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.42 -149.03 25.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 61.11 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 56' ' ' MET . 59.0 mt -40.49 142.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 75.41 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.45 38.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 72.41 111.031 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' CB ' HG23 ' A' ' 24' ' ' THR . . . -63.64 -12.99 38.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.2 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.37 -10.95 59.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.15 110.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.3 t70 -100.11 -7.34 25.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.02 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.563 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.6 mt -51.62 -48.8 85.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.32 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.03 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 73.55 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -97.57 -21.12 17.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.53 110.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 63' ' ' TYR . 12.2 mt -82.38 -24.98 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.21 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -53.64 135.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 74.21 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -11.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 63.2 110.013 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.9 mtm -99.7 130.64 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 75.51 110.981 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -87.59 151.86 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.4 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -85.05 159.63 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 74.12 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 23.0 p30 -109.85 30.51 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 70.24 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.7 tt0 -176.98 156.02 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 53.25 110.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.7 t -76.76 96.64 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.12 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.3 t -94.27 114.65 63.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 71.42 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.97 157.17 43.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 75.22 111.028 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.5 120.05 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.14 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.97 -15.37 40.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 61.31 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 21.2 m -75.71 115.44 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 74.23 110.41 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.417 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 3.3 m -49.85 138.81 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 74.41 110.438 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' CD2' HG11 ' A' ' 5' ' ' VAL . 6.4 tp -85.3 130.71 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.34 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.472 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.6 mmt -108.27 160.89 25.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 74.33 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.582 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.99 -22.76 14.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 73.22 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.39 10.63 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 75.13 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mtm -115.82 12.07 15.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 74.23 110.971 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.9 t -131.01 139.17 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 73.33 109.253 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 16.6 mtmt -87.14 150.43 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 75.45 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.6 18.78 8.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 75.23 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 22.2 t80 -81.55 173.38 12.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 74.22 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 170.11 147.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 74.35 109.32 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -175.82 2.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 74.23 111.002 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 74.0 109.301 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.486 0.184 . . . . 72.35 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -131.2 88.87 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 64.33 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.96 133.37 46.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.2 110.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.09 131.36 44.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 74.13 110.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.01 143.27 46.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.34 110.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 55' ' ' LEU . 71.3 t -54.61 135.05 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 71.44 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.446 HG22 ' CG1' ' A' ' 27' ' ' VAL . 58.7 t -138.13 118.04 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 72.43 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 74.55 109.28 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . -68.82 -8.64 45.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 72.43 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 27.5 m -157.77 171.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 71.32 109.249 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 tp -63.91 105.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 64.23 109.331 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.462 HG23 ' CD2' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -101.98 107.46 52.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 71.51 109.337 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 75.43 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 47' ' ' GLN . 6.0 tt -67.27 155.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.51 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 13.0 m-20 41.76 51.15 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 61.44 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -119.99 117.26 27.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 72.3 110.365 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.67 126.68 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 54.44 109.293 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 11' ' ' ILE . 82.9 mt -84.03 139.52 32.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 75.01 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' CE ' ' A' ' 22' ' ' MET . 19.5 p -126.26 173.08 9.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 75.12 110.385 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.35 -16.09 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.25 109.273 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.54 10.64 57.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 73.43 111.01 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.441 ' CE ' HG22 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -115.25 -28.96 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 75.34 110.983 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 18' ' ' THR . 54.5 mtm -101.92 176.59 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.34 110.996 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -167.66 170.39 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 74.42 110.377 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 34' ' ' ALA . 26.7 p -110.33 135.43 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 61.11 110.403 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.78 145.16 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 65.11 110.271 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.96 81.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 73.53 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 3.2 m -106.3 158.5 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 75.11 109.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.59 136.15 28.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 75.45 109.996 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 153.76 99.31 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.993 -2.503 . . . . 72.13 111.022 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -66.62 118.11 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 55.13 110.395 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.04 -149.91 26.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 63.24 111.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.7 142.33 0.81 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 74.24 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 149.79 36.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 74.05 110.967 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' HB3' ' CG2' ' A' ' 24' ' ' THR . . . -63.8 -13.29 42.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 72.43 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -80.62 -11.31 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.52 110.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.04 -3.2 38.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 64.43 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.562 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -52.86 -49.07 88.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 75.23 109.303 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.61 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 72.02 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.9 mtp-105 -97.42 -16.83 20.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 74.34 110.363 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 63' ' ' TYR . 27.5 mt -87.65 -23.69 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 74.25 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -55.87 135.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 63.31 109.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.83 -11.04 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 75.31 110.027 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -100.68 131.07 46.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 75.32 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -91.21 147.47 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 74.53 110.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.8 m -76.09 151.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 74.35 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 24.2 p30 -102.63 30.89 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 71.11 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.7 tt0 -178.62 159.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 71.43 110.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.63 107.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.24 109.312 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.13 115.66 54.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 64.42 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 73.51 110.981 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 9' ' ' VAL . 29.9 ttm -64.22 124.03 20.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 74.4 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.45 -16.08 52.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 73.4 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 m -73.68 114.19 11.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 74.35 110.364 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 7.0 m -49.51 135.03 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 75.41 110.427 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 5' ' ' VAL . 4.7 mt -80.92 140.56 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.55 109.332 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.488 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 4.0 mmt -118.05 159.91 41.13 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 65.23 110.993 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.563 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -19.89 17.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.763 . . . . 74.31 111.034 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.06 7.0 44.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 71.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.424 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 8.5 mtm -115.22 20.26 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 73.02 111.037 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.495 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 56.6 t -135.28 140.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 74.25 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 26.8 mtmt -87.05 150.78 23.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 72.11 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.24 21.79 3.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.474 1.109 . . . . 64.34 111.009 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 24.1 t80 -83.21 172.93 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 72.12 110.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.576 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 170.95 148.84 0.16 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 44.53 109.361 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.64 41.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 71.41 110.972 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 75.22 109.307 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.7 ttp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.482 0.182 . . . . 72.25 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -111.68 93.27 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 73.54 109.284 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -109.43 132.97 53.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 70.11 110.312 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.31 134.11 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.54 110.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.405 ' OG ' ' OE1' ' A' ' 2' ' ' GLN . 0.7 OUTLIER -122.24 145.52 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 74.31 109.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 55' ' ' LEU . 69.3 t -54.5 134.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.42 109.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.27 124.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 70.15 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 100.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.13 109.325 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 21' ' ' MET . . . -64.27 -12.68 43.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 75.32 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 8' ' ' ALA . 30.1 m -155.4 168.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 72.43 109.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' N ' ' HB2' ' A' ' 51' ' ' MET . 3.9 tp -63.58 99.96 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 75.22 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.5 OUTLIER -92.54 112.07 53.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 75.05 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.441 1.759 . . . . 75.03 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 3.8 tt -70.9 151.65 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.43 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.402 HD21 ' N ' ' A' ' 14' ' ' ASN . 1.7 m-80 46.92 49.27 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.42 109.264 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.2 m -121.48 120.72 35.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 73.31 110.412 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.2 40.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 54.01 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 72.9 mt -86.22 141.37 29.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.11 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.45 ' O ' ' CE ' ' A' ' 22' ' ' MET . 41.1 p -124.72 176.62 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.4 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -81.96 -14.37 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 75.23 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.22 10.9 51.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 55.44 111.044 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -113.12 -33.59 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 71.43 110.979 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.45 ' CE ' ' O ' ' A' ' 18' ' ' THR . 53.1 mtm -98.1 175.59 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 74.42 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 t -162.72 171.89 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 75.54 110.396 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.9 p -111.83 129.62 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.55 110.384 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.21 119.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 73.42 110.306 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 p -66.02 84.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 72.12 109.308 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -106.18 167.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.14 109.28 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -128.62 133.69 25.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 74.33 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.03 153.5 99.16 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.967 -2.514 . . . . 74.22 111.007 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 p -69.98 123.0 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 75.4 110.415 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.72 -149.95 23.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 42.52 110.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 83.3 mt -40.47 142.55 0.75 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 71.13 109.361 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 152.54 41.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 75.15 111.016 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -13.45 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 75.24 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -82.68 -12.77 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.3 110.271 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.33 -6.74 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 73.44 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.572 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.1 mt -53.3 -48.52 92.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 74.55 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -7.45 19.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 71.13 110.976 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -97.42 -19.75 18.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.51 110.316 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 63' ' ' TYR . 23.0 mt -84.88 -23.76 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.53 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.56 136.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 65.13 109.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.65 -11.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 75.33 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.2 mtm -100.88 133.55 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 73.42 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -91.88 148.84 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.41 110.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 30.9 m -81.01 154.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 73.33 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.3 p30 -105.66 32.29 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 74.35 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 7.0 tt0 -178.15 156.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.42 110.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -74.39 96.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 74.14 109.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' ILE . 75.6 t -94.09 115.35 65.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.22 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 75.41 111.008 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.415 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.4 ttm -69.01 117.22 10.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 71.14 110.97 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.43 -13.26 33.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.473 1.108 . . . . 55.22 111.003 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -74.77 117.84 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 75.24 110.367 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -49.64 136.07 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.42 110.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -78.81 130.63 35.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 74.43 109.292 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.422 ' N ' HD13 ' A' ' 55' ' ' LEU . 12.3 mmt -110.2 156.77 39.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 71.45 111.019 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.96 -20.62 16.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 64.23 111.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.12 12.0 37.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 74.25 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 mtm -114.55 7.0 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.52 110.998 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.52 135.19 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 75.1 109.268 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 2.9 mtmp? -81.2 152.57 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 73.04 109.284 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.26 3.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 73.23 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.9 t80 -83.62 173.06 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 74.51 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.597 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.47 151.03 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 65.23 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 71.11 110.989 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 71.43 109.271 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.354 -0.239 . . . . 75.45 110.354 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.18 135.62 57.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 74.12 110.361 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -121.65 144.3 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 42.44 109.966 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.726 HG11 HD23 ' A' ' 55' ' ' LEU . 79.0 t -54.62 134.86 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 71.22 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 4' ' ' SER . 54.0 t -138.51 123.88 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 72.41 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.735 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -50.85 99.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 42.21 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.888 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.3 -13.67 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 45.52 109.273 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.427 HG13 ' C ' ' A' ' 8' ' ' ALA . 26.9 m -154.03 171.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 75.14 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.95 105.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 73.25 109.337 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.735 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.6 108.41 53.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 72.2 109.268 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.861 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.98 173.05 15.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.435 1.755 . . . . 74.52 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 47' ' ' GLN . 11.7 tt -67.58 155.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 72.45 109.328 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.46 52.5 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 72.34 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.861 HG21 ' HD2' ' A' ' 12' ' ' PRO . 34.0 m -120.47 119.33 32.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 74.53 110.399 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.17 128.97 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 61.11 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 11' ' ' ILE . 82.9 mt -85.26 141.04 30.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 63.24 109.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.519 ' O ' ' HE2' ' A' ' 22' ' ' MET . 31.3 p -129.2 171.98 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 73.53 110.364 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.59 -14.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 52.54 109.284 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.79 10.75 55.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 75.31 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.52 -33.19 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 64.54 111.007 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.519 ' HE2' ' O ' ' A' ' 18' ' ' THR . 48.1 mtm -97.6 176.85 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 65.4 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.888 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -166.28 171.26 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 51.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -112.56 131.68 55.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 64.01 110.393 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.72 144.38 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 61.32 110.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -78.79 82.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 70.44 109.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.87 158.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 71.51 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -128.05 136.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.11 109.997 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.08 153.36 99.01 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 65.45 110.957 0.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 p -66.02 118.45 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.3 110.397 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.55 -149.98 26.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 74.24 110.979 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.909 HD11 ' O ' ' A' ' 56' ' ' MET . 55.3 mt -40.79 142.46 0.81 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 74.01 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 150.88 38.68 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 74.12 111.008 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.19 42.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 51.41 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.31 -10.78 59.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 71.44 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -3.81 37.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.42 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.641 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.93 -48.87 90.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 75.42 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -8.45 20.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 75.43 111.01 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.0 mtp-105 -97.62 -16.1 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 65.44 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 55' ' ' LEU . 24.4 mt -88.52 -23.73 23.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 72.11 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -56.0 135.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 61.03 109.245 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.71 -11.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 74.25 109.976 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.92 132.98 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 60.33 111.014 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.72 154.51 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.4 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.9 m -87.21 156.45 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 63.12 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.0 p30 -107.28 32.0 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.25 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.533 ' HA ' HD12 ' A' ' 13' ' ' ILE . 28.4 tt0 -178.3 155.82 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 71.41 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.5 t -76.53 96.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 44.12 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' ILE . 78.0 t -94.59 115.68 65.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.33 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.71 40.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 73.21 110.99 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.1 ttp -62.2 118.83 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.52 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.44 -14.08 36.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 75.44 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -76.84 117.26 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 74.33 110.401 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.696 ' OG1' HG21 ' A' ' 27' ' ' VAL . 6.4 m -49.87 138.15 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 72.42 110.333 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 40' ' ' LEU . 5.8 tp -85.43 129.96 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 75.31 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.909 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.2 mmt -108.05 160.88 25.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 75.23 110.981 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.35 110.979 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.07 10.06 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 71.12 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -115.04 14.24 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 54.14 110.954 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.412 HG21 HD22 ' A' ' 40' ' ' LEU . 56.1 t -133.36 139.47 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 74.42 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 55.5 mttt -87.42 150.38 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 75.14 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.74 18.83 8.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 62.11 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -84.41 173.17 11.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 74.23 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.7 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 53.33 109.293 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.544 1.812 . . . . 55.34 110.966 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.422 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.321 -0.251 . . . . 72.3 110.321 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.11 136.93 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.01 110.285 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -121.9 143.01 49.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 61.3 109.998 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.765 ' CG1' HD12 ' A' ' 55' ' ' LEU . 71.0 t -56.16 134.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.22 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 4' ' ' SER . 55.6 t -137.06 127.62 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 54.12 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -53.29 98.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 75.21 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.914 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.21 -13.6 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 43.1 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.449 HG13 ' C ' ' A' ' 8' ' ' ALA . 25.3 m -153.93 172.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.32 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.39 105.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.11 109.25 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.754 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.11 108.07 53.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.52 109.287 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.824 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 73.4 110.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.532 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 9.1 tt -68.18 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 65.21 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER 40.45 51.19 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.31 109.275 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.824 HG21 ' HD2' ' A' ' 12' ' ' PRO . 42.3 m -120.27 120.29 35.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 74.35 110.385 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 131.22 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 44.42 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 11' ' ' ILE . 79.1 mt -88.21 139.18 30.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 74.24 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' CE ' ' A' ' 22' ' ' MET . 26.1 p -124.72 173.33 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.2 110.409 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.37 -13.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.05 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.68 10.79 49.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 74.53 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -114.65 -31.48 6.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 72.24 110.996 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 18' ' ' THR . 52.4 mtm -97.58 176.37 5.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 74.41 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.914 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -165.48 169.74 15.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 73.13 110.415 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 69.6 p -112.9 128.61 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 64.3 110.393 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 143.03 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.21 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 82.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 63.42 109.284 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.816 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.86 158.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 71.4 109.345 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.8 t -128.0 136.12 28.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 71.41 109.984 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.014 -2.494 . . . . 73.05 111.007 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 p -64.19 118.78 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 54.35 110.421 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.33 25.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 74.03 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.818 HD11 ' O ' ' A' ' 56' ' ' MET . 72.8 mt -42.0 142.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 75.33 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 149.16 36.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.572 1.828 . . . . 45.12 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.76 -13.14 41.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 72.42 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.64 -10.75 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 75.03 110.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -98.28 -4.69 34.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 72.42 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.739 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.29 -49.15 86.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 70.25 109.309 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -8.39 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 50.24 110.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 9.7 mtp-105 -97.4 -22.96 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 64.12 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.797 HD11 HG21 ' A' ' 32' ' ' ILE . 30.4 mt -80.57 -22.34 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 72.33 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.69 135.57 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 73.4 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.74 -11.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 75.32 110.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.406 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.0 mtm -99.93 134.19 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.34 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -93.3 151.93 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.43 110.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG13 HD21 ' A' ' 17' ' ' LEU . 18.7 m -84.67 151.59 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 75.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.9 p30 -102.39 33.78 3.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.23 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 29.4 tt0 -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 74.25 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.1 t -76.02 96.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 65.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' ILE . 96.2 t -95.26 113.22 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 70.15 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.0 161.39 38.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 72.31 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.0 ttp -63.34 120.14 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 74.24 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.92 -10.22 44.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 71.21 111.003 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 50' ' ' PRO . 17.7 m -80.58 115.73 20.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 41.53 110.415 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.816 ' OG1' HG21 ' A' ' 27' ' ' VAL . 21.2 m -49.73 137.13 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.33 110.415 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.765 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.7 mt -84.04 140.32 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 63.14 109.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.818 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -117.39 159.73 40.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 53.44 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -18.81 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 64.52 111.033 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -102.18 9.94 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.12 109.288 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.2 mtm -111.63 9.26 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.23 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 40' ' ' LEU . 21.5 t -131.28 139.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 72.25 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 9.7 mttm -87.92 150.17 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 75.32 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.1 16.35 18.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 74.13 111.034 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -82.92 173.07 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 74.13 111.011 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.33 150.5 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 70.11 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 63.01 110.978 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 75.34 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.05 134.24 56.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.12 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -120.37 143.3 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 73.43 109.997 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.713 HG22 HG13 ' A' ' 37' ' ' ILE . 66.1 t -54.63 134.93 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.45 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 4' ' ' SER . 54.7 t -137.16 126.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.1 109.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.666 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -52.68 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 73.5 109.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.735 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.41 -13.44 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 74.44 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 8' ' ' ALA . 24.1 m -153.35 169.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 71.22 109.362 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.2 tp -66.13 92.62 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.21 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.666 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -83.48 113.95 50.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.34 109.333 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.67 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.94 172.65 15.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 61.2 111.0 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.3 tt -71.81 150.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 72.21 109.31 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.4 ' ND2' HG12 ' A' ' 13' ' ' ILE . 56.0 m-80 47.3 50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 61.12 109.356 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.67 HG21 ' HD2' ' A' ' 12' ' ' PRO . 25.4 m -124.45 119.37 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 71.53 110.425 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.18 133.93 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.628 ' CD2' HG21 ' A' ' 11' ' ' ILE . 63.3 mt -87.07 143.69 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.33 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' HE2' ' A' ' 22' ' ' MET . 28.8 p -127.7 171.84 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.24 110.423 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -77.87 -13.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 65.43 109.324 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.41 10.81 50.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 71.42 111.03 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.8 mtm -115.69 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 72.44 110.994 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.52 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -97.4 176.89 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 71.41 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -166.1 170.83 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 74.14 110.398 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.486 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.6 p -113.54 128.81 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 75.35 110.402 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.33 144.23 18.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 71.34 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.38 81.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.24 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.4 m -106.52 159.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 54.2 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.19 135.96 28.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 51.51 110.004 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.01 153.39 99.12 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.997 -2.501 . . . . 63.12 110.975 0.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 p -66.88 118.94 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 73.23 110.415 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -97.11 -149.59 25.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 61.33 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.899 HD11 ' O ' ' A' ' 56' ' ' MET . 57.0 mt -40.48 142.46 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 72.33 109.269 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 151.21 39.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 75.4 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.82 -13.05 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.14 109.305 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.84 -10.69 59.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 72.11 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -97.6 -5.4 35.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 53.34 109.298 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.713 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.82 -49.07 85.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 72.51 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 71.33 110.932 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.1 mtp-105 -97.49 -19.86 18.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 65.04 110.289 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.808 HD13 HD23 ' A' ' 55' ' ' LEU . 18.5 mt -84.11 -22.6 31.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.23 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.97 135.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 71.23 109.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -10.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.1 109.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -100.03 131.1 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 61.04 110.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.03 157.21 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 54.04 110.356 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 17' ' ' LEU . 24.4 m -90.11 156.05 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 74.44 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.566 ' HA ' ' HZ3' ' A' ' 61' ' ' LYS . 21.8 p30 -107.76 31.88 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.34 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 28.3 tt0 -178.64 156.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.44 110.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.7 t -77.71 102.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 52.43 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG13 ' CG2' ' A' ' 53' ' ' THR . 93.4 t -95.8 114.88 64.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.03 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 138.02 22.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 53.43 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.42 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -43.47 120.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 60.21 110.988 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.39 -6.19 45.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 62.33 111.026 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.467 HG21 ' HD2' ' A' ' 50' ' ' PRO . 7.4 m -83.48 118.03 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 72.44 110.411 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.63 ' OG1' HG21 ' A' ' 27' ' ' VAL . 5.6 m -49.72 136.47 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 64.42 110.414 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.808 HD23 HD13 ' A' ' 40' ' ' LEU . 6.5 tp -84.59 130.33 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 62.52 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.899 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.1 mmt -107.79 160.94 24.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 75.4 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.03 -22.36 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 63.42 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 7.69 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 60.4 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.7 mtm -113.18 18.15 18.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 73.11 110.953 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.26 135.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.21 109.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.566 ' HZ3' ' HA ' ' A' ' 46' ' ' ASN . 8.4 mtmm -85.73 148.89 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.11 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.11 15.63 22.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 54.21 110.994 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 17.1 t80 -82.8 172.9 12.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 74.43 111.006 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.73 150.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 52.31 109.268 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 72.25 111.019 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.428 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 54.1 110.287 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.19 140.56 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.22 110.278 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -126.7 142.85 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 53.32 110.01 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.867 HG22 HG13 ' A' ' 37' ' ' ILE . 70.3 t -54.66 133.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.51 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.829 ' O ' HG22 ' A' ' 23' ' ' THR . 56.1 t -137.69 118.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.25 109.254 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.674 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -44.01 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.54 109.262 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -65.35 -11.82 45.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 70.12 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.518 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 33.9 m -155.58 170.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 63.03 109.317 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 50' ' ' PRO . 5.2 tp -64.5 101.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 51.41 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.674 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -95.53 111.1 54.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 75.51 109.274 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.06 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 73.34 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.509 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 9.0 tt -68.93 154.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER 40.89 53.32 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 70.22 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.775 HG21 ' HD2' ' A' ' 12' ' ' PRO . 23.2 m -122.96 119.57 30.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 53.44 110.402 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.15 128.76 25.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 65.24 109.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.604 ' CD2' HG21 ' A' ' 11' ' ' ILE . 59.6 mt -84.55 143.68 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 62.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CE ' ' A' ' 22' ' ' MET . 39.8 p -127.14 175.99 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.44 110.391 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -81.03 -15.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.55 109.322 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.86 10.68 55.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 43.14 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.443 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -113.99 -31.78 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 62.43 111.001 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 18' ' ' THR . 57.3 mtm -98.24 173.05 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 63.42 110.977 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 6' ' ' VAL . 5.2 t -163.35 169.45 19.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 74.43 110.4 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.54 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 67.4 p -112.05 128.45 56.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.14 110.377 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.2 142.46 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 74.45 110.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 t -75.56 82.55 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 62.11 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.668 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.32 160.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 74.4 109.316 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -130.62 136.3 28.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 51.42 109.986 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.07 153.45 99.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.011 -2.495 . . . . 61.13 110.989 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 p -64.59 116.89 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.41 110.417 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.67 -148.92 24.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 62.1 110.979 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 40' ' ' LEU . 82.5 mt -40.57 142.41 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 72.41 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 151.12 39.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 43.21 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.54 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.54 -13.9 45.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.41 109.334 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.87 -12.97 58.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.23 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.37 -5.58 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 73.53 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.867 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -53.66 -48.54 92.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 63.01 109.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -7.48 19.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 54.21 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.41 -19.72 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 71.32 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 32' ' ' ILE . 24.3 mt -84.88 -23.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 61.54 109.244 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -55.37 136.28 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 42.03 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.36 -11.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 44.32 110.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.8 mtm -100.31 133.24 45.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 75.22 111.019 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -91.17 149.46 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 60.44 110.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.6 m -82.36 156.98 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 62.41 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.1 p30 -107.64 30.98 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 73.35 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 29.3 tt0 -177.06 156.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.32 110.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -74.78 96.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.01 109.326 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 11' ' ' ILE . 85.1 t -94.2 114.16 62.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 70.51 109.284 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.5 Cg_endo -74.93 163.35 35.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 55.34 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 33.0 ttm -66.18 118.55 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 75.32 111.024 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.79 -14.64 34.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 65.04 111.02 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -74.23 118.76 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 74.11 110.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.668 ' OG1' HG21 ' A' ' 27' ' ' VAL . 22.9 m -49.77 139.81 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.4 110.396 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.24 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 72.2 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.688 ' O ' HD11 ' A' ' 32' ' ' ILE . 15.5 mmt -110.91 157.34 38.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 65.43 110.957 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -23.56 13.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 71.23 111.024 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 14.52 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.3 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -116.34 7.0 13.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 71.22 110.986 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 40' ' ' LEU . 39.8 t -128.01 137.8 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 63.04 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 15.3 mtmt -85.0 149.17 25.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 73.11 109.268 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.73 17.35 14.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 72.52 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.4 t80 -82.81 173.08 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 74.21 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.599 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.74 151.21 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.42 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 65.55 111.003 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 70.11 110.271 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.0 139.1 39.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 74.23 110.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -124.77 143.9 50.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.12 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD23 ' A' ' 55' ' ' LEU . 59.4 t -54.72 136.38 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 55.24 109.329 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 4' ' ' SER . 75.5 t -139.22 127.29 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 62.22 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.683 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -53.54 99.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 74.5 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.23 -13.53 38.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 33.33 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.49 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 33.5 m -156.56 173.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.03 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.36 104.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 71.24 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.683 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -99.88 108.85 53.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 63.11 109.285 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.849 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.95 172.3 16.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 53.43 111.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.6 tt -67.43 155.11 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.53 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER 41.06 52.48 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 64.13 109.28 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.849 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.4 m -120.22 120.21 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 70.24 110.408 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.15 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.24 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 83.1 mt -85.22 140.31 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 70.55 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.471 ' O ' ' HE2' ' A' ' 22' ' ' MET . 13.1 p -127.73 172.19 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 74.12 110.368 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.14 -13.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 73.33 109.282 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.15 10.77 51.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 62.4 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -115.55 -33.71 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.764 . . . . 65.15 110.987 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.471 ' HE2' ' O ' ' A' ' 18' ' ' THR . 48.7 mtm -97.79 172.89 7.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 74.14 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.819 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -163.24 170.06 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 70.44 110.419 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.568 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 76.9 p -111.42 136.17 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.02 110.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 143.31 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.04 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -77.83 81.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 32.4 109.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.43 158.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 70.35 109.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -127.38 135.9 28.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 75.04 109.989 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.977 -2.51 . . . . 72.21 111.023 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 p -67.4 121.17 15.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 72.42 110.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -98.0 -150.14 25.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 71.3 110.99 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.918 HD11 ' O ' ' A' ' 56' ' ' MET . 40.2 mt -41.92 142.35 1.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 72.23 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.694 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.78 34.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 73.43 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.69 -16.95 59.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.41 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.96 -3.18 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 63.13 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.53 -1.79 16.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.02 109.302 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.592 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -52.38 -48.23 90.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 73.1 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 73.53 111.027 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -97.56 -26.03 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.31 110.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD13 HD23 ' A' ' 55' ' ' LEU . 25.1 mt -77.5 -25.46 50.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 72.5 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.52 136.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 61.03 109.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.83 -11.18 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 73.53 109.984 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.91 129.88 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.44 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.91 156.81 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 74.34 110.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.8 m -89.95 153.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 73.44 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.1 p30 -105.92 32.29 4.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 32.32 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 30.6 tt0 -178.61 156.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 72.34 110.253 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -76.22 97.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 60.33 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 84.3 t -94.94 111.52 54.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 74.01 109.281 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 53.31 111.024 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 11.5 ttm -53.95 121.43 8.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 61.42 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -15.52 48.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 51.44 111.033 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.451 HG21 ' HD2' ' A' ' 50' ' ' PRO . 38.6 m -73.93 114.2 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.777 . . . . 54.11 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.9 m -49.96 133.21 22.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.44 110.442 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 40' ' ' LEU . 6.6 tp -81.78 130.2 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 64.23 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.918 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.1 mmt -108.04 161.08 24.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 75.23 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -20.57 16.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 65.22 110.991 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.25 7.25 44.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 64.32 109.296 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.1 mtm -113.0 23.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 74.33 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 98.5 t -140.7 143.52 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 73.23 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.1 mttt -89.81 144.22 26.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 55.34 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.23 28.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 63.33 110.995 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 21.7 t80 -77.07 172.09 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 72.14 111.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.641 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.28 150.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 62.44 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 72.33 110.978 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.427 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.288 -0.264 . . . . 71.01 110.288 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.67 133.68 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 55.42 110.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.88 144.69 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.14 109.969 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 55' ' ' LEU . 53.5 t -54.8 136.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 71.53 109.234 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 4' ' ' SER . 59.7 t -140.74 124.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 64.22 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.708 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.16 98.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 43.23 109.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.903 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.16 -13.64 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 71.03 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 ' C ' ' A' ' 8' ' ' ALA . 36.0 m -154.82 171.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 63.41 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.61 105.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 61.34 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.708 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -101.16 107.88 52.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 73.25 109.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.838 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 54.44 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.509 HG23 ' ND2' ' A' ' 14' ' ' ASN . 2.5 tt -69.43 151.62 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 70.31 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER 47.9 48.02 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.43 109.314 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.838 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.4 m -119.27 118.56 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 74.33 110.358 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.58 130.28 31.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.11 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 ' CG1' ' A' ' 45' ' ' VAL . 80.5 mt -83.5 141.37 31.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 55.12 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' HE2' ' A' ' 22' ' ' MET . 11.5 p -129.4 171.71 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 65.01 110.368 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.25 -15.17 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 74.14 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.49 10.7 56.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.091 . . . . 54.2 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.34 -33.33 4.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 64.22 111.001 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.444 ' HE2' ' O ' ' A' ' 18' ' ' THR . 56.0 mtm -97.33 175.01 6.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.4 110.972 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.903 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -165.41 169.66 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 73.11 110.403 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.595 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.9 p -111.72 131.15 55.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 71.54 110.38 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.14 147.39 17.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 64.42 110.269 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 t -81.07 81.09 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 75.31 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.656 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.46 158.62 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 73.14 109.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.0 t -128.11 136.06 28.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.13 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.95 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.026 -2.489 . . . . 62.31 111.038 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 p -66.71 119.19 11.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.34 110.397 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' A' ' 56' ' ' MET . . . -96.13 -149.37 25.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 54.32 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.902 HD11 ' O ' ' A' ' 56' ' ' MET . 41.5 mt -42.01 142.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 63.1 109.259 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.695 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 148.57 35.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 71.04 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.35 -15.29 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 74.33 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.33 -6.75 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 75.51 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -106.22 -2.65 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 73.4 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.626 HG13 HG22 ' A' ' 5' ' ' VAL . 1.3 mt -52.49 -48.07 91.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 74.32 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.6 Cg_endo -74.95 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.803 . . . . 73.04 111.053 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtp-105 -97.46 -27.67 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 75.35 110.299 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.792 HD13 HD23 ' A' ' 55' ' ' LEU . 23.8 mt -75.84 -24.68 55.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.42 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.26 136.18 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 64.21 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.75 -11.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 51.11 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -100.61 128.75 46.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.24 111.053 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' THR . 14.3 mt-30 -86.43 158.14 19.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 61.14 110.292 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG1' HD21 ' A' ' 17' ' ' LEU . 19.6 m -89.69 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.41 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -105.07 32.64 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 65.23 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 30.8 tt0 -178.55 156.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.31 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.0 t -75.52 97.05 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 44.22 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 94.9 t -96.04 112.63 60.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 70.54 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 158.11 42.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 53.32 110.989 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 ttp -59.62 119.23 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 74.1 111.033 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.8 -14.67 37.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 72.11 111.011 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.404 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 18.4 m -76.18 115.6 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 73.43 110.428 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.656 ' OG1' HG21 ' A' ' 27' ' ' VAL . 5.9 m -49.65 137.12 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.14 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 40' ' ' LEU . 6.4 tp -85.19 130.2 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 72.21 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.902 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -107.69 160.96 24.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 70.14 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.0 -20.82 16.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 60.24 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.49 5.83 46.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 74.21 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.34 24.18 12.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 65.24 110.958 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 93.8 t -140.41 143.45 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.14 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -89.06 146.28 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.52 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.38 16.44 15.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.12 . . . . 73.32 110.989 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 26.2 t80 -77.86 172.71 13.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 71.42 111.035 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.639 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.57 149.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.44 109.324 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 75.33 110.999 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.278 -0.267 . . . . 72.13 110.278 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.97 133.32 48.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 72.12 110.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.78 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 40.15 109.968 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.709 HG11 HD23 ' A' ' 55' ' ' LEU . 74.9 t -54.64 134.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 70.12 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 23' ' ' THR . 54.1 t -138.42 127.21 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.32 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.76 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -54.06 100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 34.15 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.28 -13.58 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 109.313 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 8' ' ' ALA . 23.7 m -152.91 168.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 73.43 109.295 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.3 tp -63.97 94.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 71.2 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.76 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.61 113.74 52.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 73.45 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.96 173.1 15.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.519 1.799 . . . . 54.34 111.036 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.3 tt -72.61 152.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 65.21 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m120 46.74 48.37 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 72.31 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.668 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.5 m -121.66 121.25 36.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.24 110.406 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.19 136.16 43.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 72.11 109.328 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' CG1' ' A' ' 45' ' ' VAL . 81.2 mt -87.85 141.06 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 71.11 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.479 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.4 p -127.88 171.3 11.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.21 110.421 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -76.94 -14.67 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 73.14 109.324 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.18 10.72 55.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 64.33 111.024 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.445 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -115.95 -34.28 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 73.52 111.018 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.479 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.0 mtm -97.38 177.21 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 74.45 110.997 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -166.76 171.39 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.22 110.372 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.577 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.9 p -112.5 126.98 55.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.34 110.403 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.74 142.94 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 73.44 110.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -77.21 81.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 73.2 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.699 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.76 159.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 71.24 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.48 135.98 28.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 75.31 109.981 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -74.99 153.45 99.17 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.982 -2.507 . . . . 42.11 110.989 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 p -66.63 119.09 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 75.5 110.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.432 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.4 -149.9 26.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 33.13 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.904 HD11 ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.55 142.29 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 72.01 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.98 149.39 36.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 55.11 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.89 -15.54 59.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 65.54 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -78.58 -8.02 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 74.21 110.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -104.51 -1.77 26.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.21 109.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.648 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -52.45 -48.0 91.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 73.15 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.779 . . . . 74.31 110.974 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -97.51 -26.77 14.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 53.41 110.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.828 HD13 HD23 ' A' ' 55' ' ' LEU . 21.4 mt -76.85 -24.35 52.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 70.14 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.72 136.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 73.55 109.264 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.8 -11.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 71.22 109.99 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -98.86 128.57 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.23 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' THR . 19.1 mt-30 -86.03 157.42 20.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 73.24 110.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' CG1' HD21 ' A' ' 17' ' ' LEU . 24.5 m -92.14 151.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 52.41 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.5 ' HA ' ' HZ1' ' A' ' 61' ' ' LYS . 21.9 p30 -104.95 32.33 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.12 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 13' ' ' ILE . 29.3 tt0 -178.57 156.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 73.31 110.28 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.433 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -77.81 103.54 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 71.33 109.34 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 53' ' ' THR . 93.0 t -97.25 114.09 64.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 60.3 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.459 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 141.01 26.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 71.11 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.421 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -45.68 119.69 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 73.33 111.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.76 -5.73 43.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.137 . . . . 72.22 111.003 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.459 HG21 ' HD2' ' A' ' 50' ' ' PRO . 14.4 m -83.64 116.94 22.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.74 . . . . 64.24 110.358 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.699 ' OG1' HG21 ' A' ' 27' ' ' VAL . 7.4 m -49.74 135.77 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 74.2 110.366 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 40' ' ' LEU . 6.6 tp -84.11 130.3 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 65.2 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.904 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.4 mmt -107.14 161.26 23.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 73.04 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.95 -20.6 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 63.43 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 7.08 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 63.42 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -111.71 23.89 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 64.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG12 ' HE3' ' A' ' 43' ' ' MET . 40.8 t -146.58 133.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.44 109.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HZ1' ' HA ' ' A' ' 46' ' ' ASN . 12.6 mttm -81.56 149.33 28.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.14 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.18 13.85 30.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 72.1 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.6 t80 -78.43 171.64 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 65.31 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.645 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.29 149.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 62.34 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 73.55 111.01 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.286 -0.264 . . . . 64.03 110.286 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -68.78 134.33 49.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 63.44 110.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -121.92 143.14 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.11 109.992 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.719 HG11 HD23 ' A' ' 55' ' ' LEU . 71.6 t -54.64 135.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 72.22 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 4' ' ' SER . 54.3 t -138.98 125.51 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 64.41 109.254 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.694 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.13 98.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.54 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.894 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.18 -13.58 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 72.34 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 35.1 m -155.47 173.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.24 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.31 104.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 72.21 109.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.694 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.29 108.56 53.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 63.12 109.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.867 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.95 172.7 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 71.24 111.025 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.537 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.7 tt -67.37 155.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 74.1 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER 40.54 51.75 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 61.14 109.337 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.867 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.2 m -118.79 118.86 32.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.45 110.351 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.6 125.97 14.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.01 109.289 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 75.6 mt -82.8 139.81 33.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 63.52 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.51 ' O ' ' HE2' ' A' ' 22' ' ' MET . 12.9 p -127.81 171.42 11.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 72.41 110.417 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.63 -12.96 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 70.35 109.322 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.62 10.71 49.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 73.11 111.001 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -115.61 -31.97 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 45.03 111.014 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 18' ' ' THR . 47.7 mtm -98.75 175.28 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 71.24 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.894 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -164.19 170.46 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 62.23 110.428 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.56 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 74.3 p -113.52 128.18 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 44.55 110.37 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.65 143.06 19.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 60.24 110.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.11 81.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 62.3 109.303 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.4 m -106.94 160.86 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 72.33 109.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.46 135.87 28.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 74.12 110.063 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.4 99.15 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.02 -2.492 . . . . 71.24 111.013 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 p -66.97 118.98 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 71.15 110.437 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.06 25.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.132 . . . . 72.4 111.01 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.907 HD11 ' O ' ' A' ' 56' ' ' MET . 55.7 mt -41.58 142.46 1.02 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 73.2 109.329 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.02 150.58 38.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 74.43 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.56 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.69 -12.92 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 71.4 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -80.7 -11.45 59.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.23 110.273 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.1 t70 -96.65 -5.83 38.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 73.13 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.24 -49.3 82.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.52 109.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -9.57 20.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 75.41 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.5 mtp-105 -97.23 -16.06 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 71.44 110.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.776 HD13 HD23 ' A' ' 55' ' ' LEU . 22.9 mt -88.48 -22.8 23.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 60.32 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -57.0 135.94 20.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 70.41 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.62 -11.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 32.15 109.969 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.2 132.65 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 71.1 110.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -92.2 145.85 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 72.43 110.276 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.3 m -77.7 155.9 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.14 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.3 p30 -106.31 31.92 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.23 109.265 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 28.6 tt0 -178.55 155.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.05 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -75.55 96.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.31 109.306 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 81.7 t -94.43 113.49 61.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 75.24 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.01 158.52 42.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 74.33 111.0 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 32.3 ttm -60.02 121.3 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.41 111.009 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.07 -12.12 48.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 54.32 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.408 HG21 ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -78.71 116.06 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 63.4 110.363 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.494 HG23 ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.77 137.55 16.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 74.4 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.776 HD23 HD13 ' A' ' 40' ' ' LEU . 5.8 tp -84.62 129.99 34.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 64.31 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.907 ' O ' HD11 ' A' ' 32' ' ' ILE . 11.6 mmt -108.12 159.42 30.67 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 71.03 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.572 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.97 -21.46 15.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 44.14 111.002 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.67 9.28 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 73.34 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.407 ' HE2' ' CG ' ' A' ' 56' ' ' MET . 13.2 mtm -116.36 15.33 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 51.04 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 62.1 t -131.51 139.31 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 70.33 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 20.3 mtmt -86.92 150.46 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 74.22 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.27 19.54 5.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 64.04 110.99 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 23.0 t80 -83.92 172.99 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 75.25 111.036 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.7 148.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 70.23 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 71.1 111.03 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.298 -0.26 . . . . 62.41 110.298 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.79 130.69 47.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 72.43 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -119.23 143.97 47.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 70.24 110.012 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.892 HG22 HG13 ' A' ' 37' ' ' ILE . 72.3 t -54.6 134.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 61.4 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 27' ' ' VAL . 53.0 t -137.78 121.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.33 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -45.37 102.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.51 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.829 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -67.61 -10.41 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 44.42 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.6 m -157.75 169.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.5 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.0 tp -64.89 93.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 71.13 109.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.589 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -84.18 114.07 52.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 64.51 109.266 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.917 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 71.33 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 47' ' ' GLN . 6.7 tt -70.55 152.64 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 74.21 109.273 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 42.92 53.4 5.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.01 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.621 HG21 ' HD2' ' A' ' 12' ' ' PRO . 34.2 m -123.8 126.5 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 63.21 110.382 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.52 130.82 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 53.13 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 11' ' ' ILE . 64.8 mt -83.5 142.12 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 64.34 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.0 p -127.74 170.82 12.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 64.42 110.427 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.96 -13.55 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 73.33 109.304 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.82 52.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 44.23 111.062 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.581 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -115.57 -33.8 5.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 74.44 111.002 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.433 ' HE2' ' O ' ' A' ' 18' ' ' THR . 46.9 mtm -97.76 169.76 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 61.52 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.829 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -158.94 170.08 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.45 110.395 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.542 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 82.3 p -111.56 130.27 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.4 110.355 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.9 145.49 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.54 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.99 82.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.22 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.686 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.52 158.78 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 60.43 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.2 t -127.79 135.99 28.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.04 109.955 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.3 99.09 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.947 -2.522 . . . . 74.2 111.039 -0.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 p -65.82 117.77 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 52.11 110.395 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.08 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 71.01 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.78 HG21 HD11 ' A' ' 40' ' ' LEU . 93.3 mt -40.77 142.49 0.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 74.01 109.293 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 150.89 39.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 74.1 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.542 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.62 -13.36 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.23 109.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.9 -13.91 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 53.21 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.21 -6.09 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 64.24 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.892 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.8 -48.68 90.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.31 109.32 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 70.11 111.008 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -97.58 -17.34 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.25 110.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 32' ' ' ILE . 14.4 mt -87.73 -23.55 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.32 109.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -56.16 136.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 75.31 109.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.27 -10.95 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 55.1 110.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.38 131.81 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.25 111.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -86.54 149.9 24.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 73.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.2 m -89.71 145.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 43.23 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.4 p30 -92.28 25.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 71.44 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.645 ' HA ' HD12 ' A' ' 13' ' ' ILE . 28.3 tt0 -175.05 148.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 72.42 110.298 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.917 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.5 p -77.94 96.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 42.43 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' ILE . 59.8 t -83.71 121.08 76.1 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 72.35 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.32 26.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 74.41 110.951 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.409 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 45.0 ttp -47.59 119.83 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 74.1 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.03 -9.73 39.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 53.41 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.493 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 23.4 m -82.49 122.22 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 55.1 110.44 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.686 ' OG1' HG21 ' A' ' 27' ' ' VAL . 9.1 m -52.72 139.88 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 54.44 110.416 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.694 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -82.69 127.44 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 75.14 109.291 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.62 ' O ' HD11 ' A' ' 32' ' ' ILE . 18.8 mmt -107.5 157.38 35.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 74.22 111.015 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.6 Cg_endo -74.96 -26.99 10.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 52.14 111.06 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.47 17.17 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.31 109.292 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.06 7.73 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.22 110.966 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 40' ' ' LEU . 60.3 t -128.45 135.23 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 60.31 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 13.1 mtmt -83.73 147.62 27.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 74.23 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.14 15.47 22.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 72.23 111.003 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.3 t80 -81.96 173.24 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 74.14 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.94 150.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 64.01 109.318 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 70.42 110.989 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.327 -0.249 . . . . 74.35 110.327 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.31 137.54 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.24 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -124.32 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.1 109.967 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.657 HG22 HG13 ' A' ' 37' ' ' ILE . 74.9 t -54.59 134.93 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 74.5 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.827 ' O ' HG22 ' A' ' 23' ' ' THR . 61.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.53 109.3 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.713 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -47.45 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 71.45 109.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.768 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -64.53 -12.34 43.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 72.33 109.297 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.444 HG13 ' C ' ' A' ' 8' ' ' ALA . 26.6 m -153.57 170.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 70.43 109.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.3 tp -64.46 103.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 71.23 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.713 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -99.01 109.56 54.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.22 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.891 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.01 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 73.33 111.023 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.9 tt -67.17 156.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 35.14 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 40.65 51.26 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 52.03 109.259 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.891 HG21 ' HD2' ' A' ' 12' ' ' PRO . 54.4 m -119.96 118.6 31.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.34 110.407 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.38 127.35 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 75.22 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.576 ' CD2' HG21 ' A' ' 11' ' ' ILE . 73.3 mt -84.16 139.8 32.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 73.13 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.529 ' O ' ' HE2' ' A' ' 22' ' ' MET . 30.0 p -125.51 172.64 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 71.34 110.402 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.83 -13.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.35 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.75 10.69 49.2 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 71.43 111.02 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.4 mtm -114.88 -31.67 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 73.5 110.991 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.529 ' HE2' ' O ' ' A' ' 18' ' ' THR . 50.0 mtm -99.13 177.09 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 42.12 111.005 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 6' ' ' VAL . 6.2 t -167.46 170.59 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 71.54 110.387 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.564 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.4 p -112.8 128.07 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 71.21 110.431 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.34 141.69 17.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 73.43 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.93 81.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 71.35 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -107.21 161.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 64.13 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.93 135.97 28.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 71.23 110.018 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.53 99.22 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.981 -2.508 . . . . 75.1 111.0 0.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 p -67.84 119.15 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.4 110.353 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.78 -150.22 26.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 63.22 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.832 HD11 ' O ' ' A' ' 56' ' ' MET . 93.6 mt -40.29 142.61 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 61.02 109.273 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.94 150.47 38.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 55.43 111.03 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.564 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.47 -13.27 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 43.54 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -80.15 -9.47 59.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 53.13 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.6 t70 -100.26 -4.81 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 63.11 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -52.31 -48.9 87.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 73.01 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.25 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.454 1.765 . . . . 62.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.5 mtp-105 -97.45 -23.14 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.15 110.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD13 HD23 ' A' ' 55' ' ' LEU . 25.0 mt -80.11 -23.04 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.13 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.42 135.57 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 73.34 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.82 -11.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 75.53 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.04 132.43 45.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 52.52 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.49 148.89 21.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 52.51 110.289 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.3 m -78.63 151.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 73.44 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 20.5 p30 -102.74 30.35 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 73.42 109.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 13' ' ' ILE . 33.0 tt0 -177.75 159.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.22 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.5 t -78.57 108.61 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 51.15 109.29 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -111.1 118.77 47.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 63.34 109.315 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.527 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 165.67 30.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 73.54 111.021 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.81 121.61 15.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 74.42 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.82 -17.23 39.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 72.21 110.967 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.414 ' HB ' HG23 ' A' ' 49' ' ' VAL . 3.1 m -72.23 115.67 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 71.34 110.386 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.603 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.4 m -49.44 132.52 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 74.05 110.434 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 40' ' ' LEU . 7.4 tp -79.82 132.69 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.32 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.832 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.5 mmt -108.59 161.72 22.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 74.21 111.037 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -24.7 12.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 75.12 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.91 10.07 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 50.22 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.4 mtm -113.03 16.22 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 64.22 111.036 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG21 HD22 ' A' ' 40' ' ' LEU . 20.5 t -137.82 141.88 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 51.1 109.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 57.4 mttt -89.04 150.77 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 70.44 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.81 18.65 11.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 65.15 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 16.5 t80 -84.21 172.94 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.772 . . . . 70.14 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.6 150.44 0.17 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 31.43 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 72.23 110.984 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.339 -0.245 . . . . 63.35 110.339 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.46 131.27 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 71.34 110.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -116.35 145.14 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 72.51 109.968 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.712 HG22 HG13 ' A' ' 37' ' ' ILE . 60.1 t -55.19 135.48 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 72.15 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 4' ' ' SER . 76.0 t -137.11 120.85 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 54.21 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.694 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.22 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.748 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.11 -13.62 38.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 70.34 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 8' ' ' ALA . 18.8 m -152.35 169.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 63.03 109.276 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.2 tp -64.31 101.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 71.4 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.694 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -96.94 110.65 54.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 73.23 109.274 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.814 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.05 173.26 14.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.44 1.758 . . . . 71.14 111.02 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 47' ' ' GLN . 15.6 tt -68.59 154.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.3 109.334 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 42.93 50.83 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.33 109.26 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.814 HG21 ' HD2' ' A' ' 12' ' ' PRO . 41.3 m -121.4 118.23 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 53.15 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.48 129.27 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 65.25 109.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' A' ' 11' ' ' ILE . 68.2 mt -86.03 140.65 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 44.15 109.337 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -127.38 169.79 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 72.34 110.377 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -75.72 -13.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 73.43 109.259 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.73 10.65 56.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 75.04 111.034 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.8 mtm -117.02 -33.81 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 64.42 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.455 ' HE2' ' O ' ' A' ' 18' ' ' THR . 47.8 mtm -97.53 178.64 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.55 110.96 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.748 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -167.74 175.65 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.33 110.412 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.528 ' CG2' HD12 ' A' ' 37' ' ' ILE . 68.9 p -116.15 136.01 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 74.42 110.437 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.47 140.72 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 72.2 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.1 t -77.73 82.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.31 109.294 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.8 m -106.59 163.36 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.31 109.272 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.58 135.22 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.3 109.986 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.69 99.3 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.966 -2.514 . . . . 72.55 111.009 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 p -69.59 118.31 12.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 64.53 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.72 -150.41 26.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 71.12 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.799 HD11 ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.46 142.64 0.74 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 73.35 109.277 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.94 38.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 70.33 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.28 -13.42 38.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 52.34 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -79.66 -8.57 59.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 72.34 110.251 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -101.84 -4.9 25.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 61.11 109.339 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.712 HG13 HG22 ' A' ' 5' ' ' VAL . 1.2 mt -52.34 -48.94 87.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 63.33 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -8.02 19.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 63.32 111.02 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.8 mtp-105 -97.37 -24.05 15.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 71.32 110.264 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.877 HD13 HD23 ' A' ' 55' ' ' LEU . 19.1 mt -79.21 -23.15 44.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 64.41 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.5 mt -56.69 135.62 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 71.24 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 t 84.7 -10.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.25 110.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.5 131.57 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.21 110.984 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.27 146.37 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.45 110.296 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.6 m -75.39 155.56 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.14 109.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.676 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -105.38 29.86 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 61.35 109.331 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.721 ' HA ' HD12 ' A' ' 13' ' ' ILE . 32.2 tt0 -178.55 159.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.33 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.4 t -77.99 109.05 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 72.32 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -111.21 119.48 45.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.3 109.324 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.526 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 164.38 33.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 63.31 111.037 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.6 ttp -66.15 121.58 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 74.13 110.967 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.94 -16.97 38.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 73.3 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' HG23 ' A' ' 49' ' ' VAL . 3.4 m -73.42 115.86 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 73.25 110.398 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.591 ' OG1' HG21 ' A' ' 27' ' ' VAL . 2.9 m -49.51 135.01 18.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 65.43 110.402 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.877 HD23 HD13 ' A' ' 40' ' ' LEU . 7.4 tp -81.73 131.76 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 74.35 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.799 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.3 mmt -106.63 161.96 21.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 73.13 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.98 -24.07 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 74.33 111.008 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 6.87 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.35 109.334 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.676 ' HA ' HD22 ' A' ' 46' ' ' ASN . 7.6 mtm -110.9 16.77 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 72.54 110.928 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG21 HD22 ' A' ' 40' ' ' LEU . 24.8 t -137.57 138.56 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 71.23 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 56.0 mttt -85.57 152.3 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.35 109.271 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.15 20.57 4.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 75.02 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 11.9 t80 -84.66 173.01 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 74.32 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.46 150.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 71.33 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 74.22 110.987 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.321 -0.251 . . . . 73.41 110.321 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.76 132.08 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.51 110.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.79 142.86 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.11 109.959 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.877 HG22 HG13 ' A' ' 37' ' ' ILE . 71.1 t -54.57 136.36 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 64.03 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 4' ' ' SER . 52.0 t -138.98 119.8 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.12 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -43.83 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 65.01 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -66.95 -11.2 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 70.22 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.4 m -157.69 170.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 71.01 109.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.43 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 70.45 109.34 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.575 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -82.36 114.14 49.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 51.44 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.903 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 60.2 111.025 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 tt -70.51 153.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.13 109.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 41.14 54.41 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 53.11 109.285 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.612 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -123.59 128.86 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 70.42 110.384 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.73 131.62 51.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 64.24 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 45' ' ' VAL . 77.4 mt -84.87 140.49 31.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.12 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.474 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.3 p -125.78 173.8 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 75.31 110.37 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.98 -14.37 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.43 109.287 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.29 10.58 54.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 33.21 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.596 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -114.41 -32.43 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 43.13 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE2' ' O ' ' A' ' 18' ' ' THR . 62.6 mtm -97.73 168.82 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 75.04 111.022 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.819 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -158.65 166.44 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 73.25 110.427 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.535 HG22 HD12 ' A' ' 37' ' ' ILE . 23.9 p -109.22 134.95 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 74.4 110.4 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.24 143.95 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 75.22 110.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.65 81.68 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 44.12 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.3 m -106.32 157.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 63.11 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.66 135.59 27.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.02 110.043 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 153.06 98.9 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 74.23 111.022 0.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -69.65 118.82 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.02 110.419 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.26 -146.66 21.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 52.4 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.806 HD11 ' O ' ' A' ' 56' ' ' MET . 69.9 mt -42.76 142.67 1.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 65.12 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 150.91 38.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 75.31 110.982 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -12.61 39.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 64.44 109.324 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.79 -11.51 59.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.21 110.287 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.05 -4.91 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.14 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.877 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -53.27 -48.66 91.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 64.35 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -7.67 19.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 42.54 111.01 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.39 -20.18 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 74.03 110.313 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD11 HG21 ' A' ' 32' ' ' ILE . 29.8 mt -83.43 -24.52 31.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 73.42 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.52 135.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.44 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.41 -10.98 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 65.2 109.96 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.78 130.56 45.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 51.03 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' THR . 30.6 mt-30 -84.38 153.14 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.41 110.298 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.2 m -93.95 144.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.43 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.6 p30 -92.83 28.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 63.52 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -178.57 148.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 72.15 110.311 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.903 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -78.47 96.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.01 109.349 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ILE . 58.5 t -83.55 121.33 76.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.24 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.74 25.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 50.25 111.027 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.3 ttp -47.26 120.29 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 61.42 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.42 -9.66 41.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 42.23 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.476 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 22.9 m -82.62 121.53 26.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 61.32 110.415 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.483 HG23 ' CG2' ' A' ' 27' ' ' VAL . 2.9 m -51.32 139.86 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.32 110.389 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.713 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.17 125.77 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 65.15 109.294 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.806 ' O ' HD11 ' A' ' 32' ' ' ILE . 14.5 mmt -105.61 156.75 35.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 71.51 111.005 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -27.67 9.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 72.33 111.0 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.39 17.07 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 70.32 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 mtm -119.95 11.95 11.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 61.12 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.505 HG21 HD22 ' A' ' 40' ' ' LEU . 55.4 t -133.47 137.1 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 54.32 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 46.4 mttt -86.19 146.12 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 72.32 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.89 13.79 34.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 64.32 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.602 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 13.0 t80 -81.15 173.23 12.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 74.04 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.69 150.52 0.2 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 72.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 73.55 110.992 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.326 -0.25 . . . . 73.32 110.326 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.63 131.23 42.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.03 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -119.12 141.75 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 71.33 110.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 37' ' ' ILE . 69.2 t -54.55 134.66 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 70.22 109.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.979 ' O ' HG22 ' A' ' 23' ' ' THR . 56.1 t -138.59 119.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 65.41 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.747 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.23 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.87 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.17 -13.59 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.34 109.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 8' ' ' ALA . 27.9 m -153.44 170.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.45 109.264 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.2 tp -62.7 104.79 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 42.15 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.747 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.14 108.57 52.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.54 109.272 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.822 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.96 172.71 15.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 71.14 110.97 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 47' ' ' GLN . 12.8 tt -67.96 155.92 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 71.14 109.323 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 40.25 51.7 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 73.55 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.822 HG21 ' HD2' ' A' ' 12' ' ' PRO . 39.9 m -120.31 120.25 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 71.31 110.423 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.66 129.82 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 75.33 109.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 11' ' ' ILE . 80.4 mt -85.81 140.37 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 65.1 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.527 ' O ' ' HE2' ' A' ' 22' ' ' MET . 13.6 p -127.43 173.71 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 64.23 110.397 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.37 -14.15 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.31 109.327 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.92 10.75 52.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 70.21 111.02 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -114.71 -31.45 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 72.53 110.999 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.527 ' HE2' ' O ' ' A' ' 18' ' ' THR . 52.5 mtm -99.81 173.72 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.54 111.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.979 HG22 ' O ' ' A' ' 6' ' ' VAL . 12.1 t -162.67 169.21 20.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 70.24 110.378 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.621 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.5 p -112.96 126.11 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 60.42 110.41 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -151.79 145.41 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 73.31 110.293 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.76 79.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.54 109.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.1 m -106.53 158.0 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 64.33 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.8 t -128.59 135.93 28.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 61.21 110.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 154.13 99.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.057 -2.476 . . . . 65.24 110.965 0.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.6 p -71.15 118.94 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 64.4 110.419 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' CA ' ' CE ' ' A' ' 56' ' ' MET . . . -95.01 -144.31 16.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 74.53 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 56' ' ' MET . 95.1 mt -43.07 140.71 1.91 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 62.4 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 148.09 34.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 72.51 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.621 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.13 -12.92 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 44.24 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.55 -9.91 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 33.25 110.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.88 -0.68 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.4 109.285 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.61 -48.82 89.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.31 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 74.12 111.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 mtp-105 -97.6 -18.16 19.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 62.01 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 32' ' ' ILE . 11.5 mt -86.35 -23.76 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.96 136.28 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 72.02 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.73 -11.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.1 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.442 ' HE3' HG12 ' A' ' 60' ' ' VAL . 2.9 mtm -98.24 134.47 41.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.11 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -93.72 149.21 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 75.24 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.5 m -82.85 155.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 65.23 109.283 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.2 p30 -106.46 32.71 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.2 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' A' ' 13' ' ' ILE . 29.2 tt0 -178.41 156.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 63.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.1 t -76.43 96.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 64.14 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 89.7 t -94.8 116.15 66.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 61.24 109.285 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.04 162.81 36.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 74.34 110.964 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.12 118.02 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.11 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.87 -13.41 34.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 50.23 110.982 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -77.34 117.94 19.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 73.04 110.409 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.83 139.35 13.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 73.41 110.386 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD23 HD13 ' A' ' 40' ' ' LEU . 6.7 tp -87.02 132.83 33.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 41.24 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.847 ' O ' HD11 ' A' ' 32' ' ' ILE . 18.7 mmt -109.07 159.52 30.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.54 111.05 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -16.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 75.21 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -103.81 7.64 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.52 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -110.67 11.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 70.03 111.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG12 ' HE3' ' A' ' 43' ' ' MET . 30.5 t -133.39 135.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 61.42 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 10.0 mttm -83.91 150.84 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 71.04 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.08 14.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 73.44 110.989 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 18.0 t80 -81.25 173.16 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 75.43 110.968 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.48 149.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 54.32 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 73.22 111.021 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.3 -0.259 . . . . 73.3 110.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.75 133.14 50.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.31 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.88 144.59 46.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.42 110.011 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.882 HG22 HG13 ' A' ' 37' ' ' ILE . 68.9 t -54.56 135.82 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 71.23 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.893 ' O ' HG22 ' A' ' 23' ' ' THR . 52.8 t -139.79 118.81 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 75.24 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.764 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.42 99.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 62.11 109.253 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.863 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.1 -13.45 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 70.01 109.286 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 8' ' ' ALA . 24.8 m -154.19 171.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 75.1 109.255 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tp -62.84 105.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 71.05 109.273 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.764 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.24 108.61 53.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 75.1 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.846 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 173.11 15.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 73.1 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.0 tt -67.86 155.11 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 74.31 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 41.16 51.41 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.13 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.846 HG21 ' HD2' ' A' ' 12' ' ' PRO . 58.3 m -119.45 118.34 30.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 51.01 110.406 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 127.73 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.03 109.275 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 85.1 mt -82.5 138.56 34.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.42 109.273 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -127.46 168.42 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 74.14 110.418 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.8 p -75.03 -13.64 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.11 109.353 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.34 10.78 54.45 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.122 . . . . 15.44 110.973 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.02 -33.5 4.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 62.11 111.03 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.9 mtm -97.8 175.57 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 63.33 110.975 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 6' ' ' VAL . 7.1 t -164.89 171.24 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 74.54 110.432 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.683 ' CG2' HD12 ' A' ' 37' ' ' ILE . 70.1 p -113.01 127.94 56.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 72.45 110.406 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.78 140.2 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 75.54 110.272 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.35 82.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 62.55 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.5 m -106.55 161.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 73.23 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.3 t -128.43 135.44 27.56 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 61.43 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 153.26 99.07 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.983 -2.507 . . . . 75.24 110.987 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -67.51 119.03 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 63.31 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.529 ' HA2' ' HE2' ' A' ' 56' ' ' MET . . . -97.08 -148.98 24.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 75.33 111.024 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.868 HD11 ' O ' ' A' ' 56' ' ' MET . 73.3 mt -41.1 142.56 0.86 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 63.01 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 149.73 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 32.15 110.998 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.591 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.31 -12.75 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 65.33 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.99 -10.06 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 65.22 110.341 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' LEU . 1.2 m-20 -100.34 -6.7 25.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.31 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.882 HG13 HG22 ' A' ' 5' ' ' VAL . 1.5 mt -51.95 -48.27 88.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 64.52 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -8.1 19.74 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 62.11 110.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -97.93 -24.72 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 71.41 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD13 HD23 ' A' ' 55' ' ' LEU . 11.5 mt -77.49 -20.9 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.43 109.3 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.2 mm -54.84 134.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 75.32 109.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 3.3 t 85.03 -11.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 73.12 109.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -98.22 131.09 44.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.32 111.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.93 156.17 18.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 71.44 110.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 19.1 m -88.37 154.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 53.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.5 p30 -105.35 32.87 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.52 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 28.4 tt0 -178.5 155.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.35 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.3 t -76.3 96.78 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 72.13 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.0 t -94.76 115.63 65.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 71.14 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 65.11 110.989 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.8 ttp -61.39 119.98 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 53.05 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.33 -14.29 39.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 52.44 111.008 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -77.6 116.68 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 52.12 110.395 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.659 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.2 m -49.71 141.04 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 71.3 110.432 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD23 HD13 ' A' ' 40' ' ' LEU . 6.8 tp -87.96 130.27 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.4 109.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.868 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.4 mmt -106.38 161.16 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 65.32 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.96 -22.92 14.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 72.5 111.031 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -98.24 8.74 44.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 64.23 109.324 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 mtm -113.92 15.74 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 74.5 110.984 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.42 HG12 ' HE3' ' A' ' 43' ' ' MET . 48.3 t -135.73 137.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 62.43 109.266 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.2 mttt -86.68 149.95 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 63.13 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.49 17.8 13.8 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 64.35 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 16.3 t80 -83.36 173.25 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 75.04 110.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.37 149.87 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 62.13 109.284 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 52.42 111.023 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.292 -0.262 . . . . 62.42 110.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.43 131.66 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 64.31 110.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -115.97 145.76 42.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 43.43 109.998 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 37' ' ' ILE . 67.7 t -56.42 135.28 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 35.31 109.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 4' ' ' SER . 58.2 t -137.26 123.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 74.03 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.63 102.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 55.23 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.813 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -67.3 -9.72 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 64.54 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 8' ' ' ALA . 29.8 m -157.09 171.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.14 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.8 tp -65.36 103.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 75.23 109.34 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.632 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -99.26 109.05 53.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 70.44 109.35 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.872 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.97 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 54.22 111.035 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 47' ' ' GLN . 15.0 tt -67.72 154.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 71.15 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 42.3 50.68 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 74.14 109.301 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.872 HG21 ' HD2' ' A' ' 12' ' ' PRO . 54.7 m -120.36 117.47 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 51.34 110.37 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.13 129.17 20.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 43.11 109.282 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 11' ' ' ILE . 71.5 mt -84.98 139.93 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.2 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.446 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -126.92 170.33 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 73.42 110.421 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.46 -13.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 75.24 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 10.73 55.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 72.02 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.2 mtm -116.51 -32.8 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 64.12 111.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.446 ' HE2' ' O ' ' A' ' 18' ' ' THR . 53.2 mtm -98.28 177.21 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.54 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.813 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -167.37 171.45 10.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 72.43 110.42 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.572 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.2 p -112.64 137.18 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 72.4 110.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.87 144.51 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.33 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.62 82.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 63.31 109.275 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.596 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.5 m -106.6 162.02 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 50.23 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -129.71 135.55 27.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 53.21 110.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.02 153.74 99.29 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 72.21 110.971 0.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -68.88 118.78 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 70.31 110.43 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' HE1' ' A' ' 56' ' ' MET . . . -96.39 -150.24 26.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 53.23 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.82 HD11 ' O ' ' A' ' 56' ' ' MET . 79.6 mt -41.41 142.46 0.97 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 72.42 109.335 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.95 34.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.779 . . . . 45.25 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.572 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.13 -15.36 45.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 65.44 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.71 -1.99 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 60.01 110.292 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.71 -0.7 17.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 73.25 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -53.27 -48.42 92.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 75.32 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -7.55 19.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 62.11 110.98 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -97.62 -19.14 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 74.52 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.769 HD13 HD23 ' A' ' 55' ' ' LEU . 13.5 mt -85.07 -24.36 28.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 75.23 109.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.18 135.99 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 73.24 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.79 -11.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 75.2 109.975 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.411 ' HE3' HG12 ' A' ' 60' ' ' VAL . 2.9 mtm -99.43 129.17 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 63.23 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' THR . 18.2 mt-30 -90.24 147.59 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 72.35 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -77.21 153.39 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 72.21 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.523 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -103.67 30.65 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 65.23 109.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 13' ' ' ILE . 33.0 tt0 -178.63 159.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 50.45 110.336 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.79 107.95 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 74.33 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.8 116.91 51.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 73.25 109.275 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.08 165.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 54.14 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.7 ttm -65.93 124.34 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 64.24 111.027 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.56 51.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 64.3 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.437 ' HB ' HG23 ' A' ' 49' ' ' VAL . 7.5 m -76.12 114.91 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 61.12 110.38 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.596 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.7 m -49.53 134.93 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 74.31 110.405 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.769 HD23 HD13 ' A' ' 40' ' ' LEU . 7.6 tp -80.81 130.91 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 75.03 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.82 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.8 mmt -106.44 161.93 21.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 73.42 111.034 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.577 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -23.92 13.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 65.23 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.34 7.65 46.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 60.42 109.297 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.523 ' HA ' HD22 ' A' ' 46' ' ' ASN . 8.0 mtm -111.94 20.34 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.54 110.979 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.411 HG12 ' HE3' ' A' ' 43' ' ' MET . 21.4 t -142.99 137.89 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 61.52 109.276 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 59.5 mttt -86.52 151.06 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 73.41 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.39 17.72 12.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 70.25 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 14.8 t80 -82.79 173.25 12.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 71.11 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.52 150.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 53.14 109.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 74.15 110.978 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.348 -0.241 . . . . 73.34 110.348 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.84 134.06 48.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.03 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.77 144.5 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 63.41 109.972 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG11 HD23 ' A' ' 55' ' ' LEU . 77.0 t -54.65 134.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.55 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 23' ' ' THR . 64.2 t -137.35 124.11 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 62.42 109.308 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.635 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -48.95 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 50.22 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.8 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.86 -13.07 41.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 70.44 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.4 m -156.12 172.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 71.03 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.14 92.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 71.4 109.256 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.635 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -83.59 114.06 51.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.2 109.322 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.901 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.03 171.65 17.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.762 . . . . 73.44 110.947 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.5 tt -71.89 153.73 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 63.1 109.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 45' ' ' VAL . 6.7 m-20 44.2 50.18 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 43.41 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.633 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -121.04 128.24 52.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 50.33 110.44 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -58.3 135.49 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 53.33 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.65 HD21 ' CG1' ' A' ' 45' ' ' VAL . 82.1 mt -87.17 137.51 32.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 71.52 109.333 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.476 ' O ' ' HE2' ' A' ' 22' ' ' MET . 15.0 p -125.45 171.52 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 75.44 110.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.02 -13.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 71.04 109.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.73 10.47 52.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 32.3 111.029 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.511 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.5 mtm -115.07 -33.58 5.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 73.15 111.035 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.476 ' HE2' ' O ' ' A' ' 18' ' ' THR . 46.3 mtm -98.12 172.61 7.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 71.31 111.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.8 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 4.9 t -162.56 170.84 17.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 73.41 110.426 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.606 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 74.4 p -113.42 128.97 56.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 72.43 110.368 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.43 140.25 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 75.13 110.316 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.43 80.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 75.21 109.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.631 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.4 m -106.31 159.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 44.33 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.53 135.87 28.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.43 109.985 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.63 99.27 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 73.32 110.979 -0.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 p -69.1 119.51 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 54.14 110.391 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.66 -148.18 23.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 74.22 111.019 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.866 HD11 ' O ' ' A' ' 56' ' ' MET . 58.3 mt -41.66 142.42 1.05 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 72.24 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 148.97 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 71.24 111.026 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.606 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.74 -14.51 59.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.14 109.317 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.87 -7.99 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.54 110.31 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.91 -2.07 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 71.24 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.612 HG13 HG22 ' A' ' 5' ' ' VAL . 1.2 mt -52.26 -48.27 89.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 72.03 109.323 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.03 -6.28 17.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 75.24 111.01 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -97.44 -24.71 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.43 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 32' ' ' ILE . 25.9 mt -79.45 -23.97 42.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 73.24 109.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.96 136.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 62.13 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.69 -11.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 74.41 110.02 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -98.56 130.52 45.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.24 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 45.5 mt-30 -85.11 155.94 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.42 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.65 ' CG1' HD21 ' A' ' 17' ' ' LEU . 18.1 m -95.52 143.13 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 65.12 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 28.5 p30 -90.85 18.61 6.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 62.1 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -168.08 149.79 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 71.22 110.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.901 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -79.31 96.41 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 45.1 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ILE . 60.8 t -83.38 120.65 75.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 64.25 109.287 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.93 141.62 27.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 71.2 111.023 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -47.53 121.07 3.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.5 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.2 -7.83 48.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.423 1.077 . . . . 64.51 110.993 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.443 HG21 ' HD2' ' A' ' 50' ' ' PRO . 31.2 m -86.85 119.43 27.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 73.21 110.449 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.631 ' OG1' HG21 ' A' ' 27' ' ' VAL . 2.6 m -51.41 140.42 17.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 63.01 110.413 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.691 HD23 HD13 ' A' ' 40' ' ' LEU . 6.5 tp -87.55 129.69 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.54 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.866 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -105.98 161.07 23.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 61.43 110.985 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.01 -28.56 9.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 72.2 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -92.23 10.43 29.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 74.02 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -115.31 19.66 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.12 111.029 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.24 138.84 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 72.41 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 12.1 mtmt -85.8 146.17 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.24 109.274 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.45 14.29 26.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.57 1.169 . . . . 61.44 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.7 t80 -78.19 172.6 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 72.4 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.638 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.59 149.91 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.52 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 74.33 111.024 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.423 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.272 -0.27 . . . . 73.25 110.272 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.47 136.97 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 65.25 110.32 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -124.62 143.22 50.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.675 HG11 HD23 ' A' ' 55' ' ' LEU . 71.0 t -54.6 135.89 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.03 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 4' ' ' SER . 71.0 t -136.21 132.84 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 64.33 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -62.82 100.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.23 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.86 -13.02 41.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.11 109.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 8' ' ' ALA . 22.4 m -154.1 167.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 73.15 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.82 92.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.02 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.609 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -83.22 114.09 50.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.11 109.337 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.829 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.06 173.16 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 63.53 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 tt -68.49 155.35 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 61.01 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 40.81 50.39 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 63.1 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.829 HG21 ' HD2' ' A' ' 12' ' ' PRO . 65.0 m -118.08 116.0 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 72.14 110.381 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.9 125.18 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 75.4 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' CD2' HG21 ' A' ' 11' ' ' ILE . 69.1 mt -78.99 141.61 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 64.23 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.512 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -126.17 171.66 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 61.22 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.03 -13.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.33 109.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.88 10.62 48.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.445 1.09 . . . . 60.22 111.019 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -115.28 -32.72 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.737 . . . . 71.51 110.985 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.512 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -98.2 170.61 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 73.04 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 3.0 t -160.34 169.06 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 54.41 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.494 ' CG2' HD12 ' A' ' 37' ' ' ILE . 70.9 p -113.68 127.63 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.1 110.377 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 145.56 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 62.24 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -76.08 80.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 65.41 109.328 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.609 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.3 159.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 72.34 109.329 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.58 135.97 28.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 62.1 109.977 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.97 153.67 99.29 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.042 -2.483 . . . . 71.13 111.034 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p -67.83 118.73 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.23 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -95.85 -152.19 28.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 71.11 110.956 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.889 HD11 ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.13 142.32 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 75.32 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 149.12 36.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 71.55 110.981 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -61.51 -15.14 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 64.23 109.255 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.7 -0.72 35.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.03 -1.17 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 74.34 109.298 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -53.48 -48.57 92.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 75.23 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.93 -7.92 19.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 72.05 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 16.1 mtp-105 -97.52 -18.39 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 51.52 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.858 HD13 HD23 ' A' ' 55' ' ' LEU . 20.8 mt -85.55 -24.48 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.23 109.305 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.2 mt -56.07 136.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 72.51 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.47 -11.09 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 54.42 109.995 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.84 128.59 45.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 72.21 111.01 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -87.98 152.89 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 54.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.4 m -85.48 154.98 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 64.33 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.0 p30 -105.78 30.99 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 74.03 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 35.7 tt0 -177.66 157.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 52.13 110.324 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 12' ' ' PRO . 2.9 t -84.33 102.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.12 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG22 ' HB ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -99.04 121.79 54.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 60.1 109.29 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.46 21.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 74.22 110.979 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.3 ttp -39.63 122.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 73.11 110.982 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.21 -12.46 48.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 63.45 110.994 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -76.25 114.45 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 71.34 110.378 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.609 ' OG1' HG21 ' A' ' 27' ' ' VAL . 4.1 m -49.56 127.61 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 75.41 110.391 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.858 HD23 HD13 ' A' ' 40' ' ' LEU . 6.7 tp -72.5 130.6 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 62.43 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.889 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.7 mmt -107.38 161.11 24.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 71.21 111.005 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.581 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 62.43 111.011 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.37 10.18 40.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 60.43 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 mtm -112.42 10.11 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 75.22 110.986 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.43 138.12 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 75.22 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 53.6 mttt -86.21 150.37 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 75.21 109.305 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 73.52 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 10.0 t80 -83.12 173.2 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 74.23 110.98 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.16 151.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 53.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 43.42 110.964 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.427 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.287 -0.264 . . . . 75.44 110.287 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -68.56 131.67 45.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 71.14 110.292 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -120.55 144.37 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 35.33 110.023 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.9 HG22 HG13 ' A' ' 37' ' ' ILE . 70.3 t -54.6 135.24 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.33 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' HG22 ' A' ' 23' ' ' THR . 53.4 t -139.85 122.99 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 72.11 109.321 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.745 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -50.19 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 51.3 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.808 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.25 -13.59 39.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 71.24 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.476 HG13 ' C ' ' A' ' 8' ' ' ALA . 19.9 m -155.32 172.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 72.45 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.58 105.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 72.32 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.745 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.75 107.98 51.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 61.43 109.296 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.904 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.98 173.2 14.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 74.14 111.0 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.4 tt -68.04 156.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 74.32 109.275 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 40.85 49.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.13 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.904 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.1 m -117.29 119.82 36.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 63.53 110.385 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 125.98 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 73.21 109.346 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 40' ' ' LEU . 75.2 mt -78.08 144.43 36.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 60.11 109.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' SD ' ' A' ' 22' ' ' MET . 1.6 p -144.89 152.4 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 74.34 110.425 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.99 -30.12 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 44.11 109.295 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.96 11.26 57.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 75.41 110.983 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.2 mtm -120.94 -37.39 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 0.73 . . . . 64.35 111.038 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' ' O ' ' A' ' 18' ' ' THR . 2.8 mpp? -97.56 178.42 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 72.34 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 6' ' ' VAL . 11.0 t -167.72 169.58 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 74.33 110.391 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.7 ' CG2' HD12 ' A' ' 37' ' ' ILE . 69.8 p -110.26 126.35 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 71.41 110.381 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.41 144.22 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 74.2 110.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.7 81.94 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 63.43 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -107.48 161.79 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 74.34 109.331 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.8 t -130.49 135.96 28.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 72.33 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.22 99.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.009 -2.496 . . . . 72.34 111.048 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 p -67.8 118.81 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 70.13 110.374 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.42 -149.03 25.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 61.11 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 56' ' ' MET . 59.0 mt -40.49 142.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 75.41 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.45 38.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 62.22 111.031 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.64 -12.99 38.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 41.42 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.37 -10.95 59.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 70.21 110.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.3 t70 -100.11 -7.34 25.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.02 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.9 HG13 HG22 ' A' ' 5' ' ' VAL . 1.6 mt -51.62 -48.8 85.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.32 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.03 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 51.41 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -97.57 -21.12 17.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.44 110.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HG21 ' A' ' 32' ' ' ILE . 12.2 mt -82.38 -24.98 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.21 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -53.64 135.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.24 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -11.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 50.52 110.013 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.9 mtm -99.7 130.64 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 63.52 110.981 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -87.59 151.86 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.4 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -85.05 159.63 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 71.53 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 23.0 p30 -109.85 30.51 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 70.24 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HA ' HD12 ' A' ' 13' ' ' ILE . 30.5 tt0 -176.98 156.02 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 52.14 110.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 48' ' ' VAL . 2.7 t -76.76 96.64 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 72.45 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.3 t -94.27 114.65 63.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 40.02 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.97 157.17 43.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 75.22 111.028 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.5 120.05 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.01 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.97 -15.37 40.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 61.31 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 21.2 m -75.71 115.44 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 52.44 110.41 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.615 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.3 m -49.85 138.81 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 74.41 110.438 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.787 HD23 HD13 ' A' ' 40' ' ' LEU . 6.4 tp -85.3 130.71 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.34 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.914 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.6 mmt -108.27 160.89 25.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 50.42 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.582 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.99 -22.76 14.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 73.22 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.39 10.63 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 75.13 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mtm -115.82 12.07 15.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 64.04 110.971 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.452 HG21 HD22 ' A' ' 40' ' ' LEU . 57.9 t -131.01 139.17 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 73.33 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 16.6 mtmt -87.14 150.43 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 74.44 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.6 18.78 8.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 73.43 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 22.2 t80 -81.55 173.38 12.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 74.22 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.11 147.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 62.43 109.32 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 72.32 111.002 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.281 -0.266 . . . . 65.13 110.281 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.09 131.36 44.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 72.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.497 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.01 143.27 46.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.34 110.039 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.771 HG11 HD12 ' A' ' 55' ' ' LEU . 71.3 t -54.61 135.05 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 70.35 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 4' ' ' SER . 58.7 t -138.13 118.04 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 55.12 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.691 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.76 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 61.32 109.28 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.767 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -68.82 -8.64 45.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.13 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.5 m -157.77 171.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 71.32 109.249 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.1 tp -63.91 105.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 43.23 109.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.691 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.98 107.46 52.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 70.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.9 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 71.41 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 47' ' ' GLN . 6.0 tt -67.27 155.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.51 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 13.0 m-20 41.76 51.15 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 61.01 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.9 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -119.99 117.26 27.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 72.3 110.365 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.67 126.68 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 54.44 109.293 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.562 ' CD2' HG21 ' A' ' 11' ' ' ILE . 82.9 mt -84.03 139.52 32.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 74.23 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' CE ' ' A' ' 22' ' ' MET . 19.5 p -126.26 173.08 9.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 61.24 110.385 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.35 -16.09 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.25 109.273 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.54 10.64 57.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 52.05 111.01 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -115.25 -28.96 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 73.35 110.983 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 18' ' ' THR . 54.5 mtm -101.92 176.59 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.34 110.996 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.767 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -167.66 170.39 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 74.42 110.377 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -110.33 135.43 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 55.3 110.403 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.78 145.16 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 65.11 110.271 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.96 81.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 70.25 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.713 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.3 158.5 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 75.11 109.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.59 136.15 28.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 33.34 109.996 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 153.76 99.31 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.993 -2.503 . . . . 52.3 111.022 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -66.62 118.11 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 55.13 110.395 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.527 ' HA2' ' HE2' ' A' ' 56' ' ' MET . . . -96.04 -149.91 26.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 63.24 111.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.912 HD11 ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.7 142.33 0.81 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 70.11 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 149.79 36.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 74.05 110.967 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.8 -13.29 42.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 63.4 109.31 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -80.62 -11.31 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.52 110.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.04 -3.2 38.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 64.43 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.645 HG13 HG22 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -52.86 -49.07 88.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 55.51 109.303 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.61 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 70.11 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.9 mtp-105 -97.42 -16.83 20.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 74.34 110.363 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.777 HD11 HG21 ' A' ' 32' ' ' ILE . 27.5 mt -87.65 -23.69 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 74.25 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -55.87 135.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.83 -11.04 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 75.31 110.027 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -100.68 131.07 46.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 75.32 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -91.21 147.47 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 74.14 110.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.8 m -76.09 151.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 74.35 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.645 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.4 OUTLIER -102.63 30.89 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 71.11 109.295 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 33.8 tt0 -178.62 159.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 62.22 110.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.63 107.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 61.34 109.312 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.13 115.66 54.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 60.11 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 54.21 110.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.525 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 29.9 ttm -64.22 124.03 20.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.52 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.45 -16.08 52.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 62.33 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.439 ' HB ' HG23 ' A' ' 49' ' ' VAL . 18.5 m -73.68 114.19 11.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 63.1 110.364 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.713 ' OG1' HG21 ' A' ' 27' ' ' VAL . 7.0 m -49.51 135.03 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 75.41 110.427 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.771 HD12 HG11 ' A' ' 5' ' ' VAL . 4.7 mt -80.92 140.56 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.55 109.332 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.912 ' O ' HD11 ' A' ' 32' ' ' ILE . 4.0 mmt -118.05 159.91 41.13 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 50.24 110.993 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.563 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -19.89 17.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.763 . . . . 73.55 111.034 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.06 7.0 44.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 62.24 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.645 ' HA ' HD22 ' A' ' 46' ' ' ASN . 8.5 mtm -115.22 20.26 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 60.12 111.037 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 56.6 t -135.28 140.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 72.22 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 26.8 mtmt -87.05 150.78 23.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 51.02 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.24 21.79 3.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.474 1.109 . . . . 64.34 111.009 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 24.1 t80 -83.21 172.93 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 72.12 110.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.95 148.84 0.16 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 44.53 109.361 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 71.41 110.972 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.312 -0.255 . . . . 53.24 110.312 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.31 134.11 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.54 110.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -122.24 145.52 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 72.22 109.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.864 HG22 HG13 ' A' ' 37' ' ' ILE . 69.3 t -54.5 134.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.42 109.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 4' ' ' SER . 59.7 t -137.27 124.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 64.42 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.75 100.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.13 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.737 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -64.27 -12.68 43.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 71.53 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 8' ' ' ALA . 30.1 m -155.4 168.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 72.43 109.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 50' ' ' PRO . 3.9 tp -63.58 99.96 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 53.54 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.644 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.54 112.07 53.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 75.05 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.745 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.441 1.759 . . . . 75.03 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.8 tt -70.9 151.65 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 43.21 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 46.92 49.27 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.42 109.264 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.745 HG21 ' HD2' ' A' ' 12' ' ' PRO . 51.2 m -121.48 120.72 35.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 45.31 110.412 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.2 40.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 45.12 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 11' ' ' ILE . 72.9 mt -86.22 141.37 29.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.11 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.53 ' O ' ' HE2' ' A' ' 22' ' ' MET . 41.1 p -124.72 176.62 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.4 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -81.96 -14.37 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 75.23 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.22 10.9 51.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 42.54 111.044 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.542 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -113.12 -33.59 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 71.43 110.979 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.53 ' HE2' ' O ' ' A' ' 18' ' ' THR . 53.1 mtm -98.1 175.59 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 74.42 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.737 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -162.72 171.89 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 75.54 110.396 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.439 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 58.9 p -111.83 129.62 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.4 110.384 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -161.21 119.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 73.42 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 26' ' ' VAL . 2.3 p -66.02 84.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 72.12 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 25' ' ' ARG . 4.5 m -106.18 167.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.14 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -128.62 133.69 25.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 73.02 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.03 153.5 99.16 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.967 -2.514 . . . . 50.12 111.007 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 p -69.98 123.0 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 62.22 110.415 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.72 -149.95 23.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 42.52 110.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.73 HG21 HD11 ' A' ' 40' ' ' LEU . 83.3 mt -40.47 142.55 0.75 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 61.42 109.361 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 152.54 41.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 73.35 111.016 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.64 -13.45 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 53.2 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -82.68 -12.77 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.3 110.271 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.33 -6.74 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 73.11 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.864 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -53.3 -48.52 92.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 74.55 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -7.45 19.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 64.45 110.976 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -97.42 -19.75 18.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.51 110.316 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 60' ' ' VAL . 23.0 mt -84.88 -23.76 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.53 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.56 136.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 61.23 109.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.65 -11.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 75.33 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.2 mtm -100.88 133.55 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 73.42 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -91.88 148.84 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.41 110.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG1' HD21 ' A' ' 17' ' ' LEU . 30.9 m -81.01 154.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 61.33 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.3 p30 -105.66 32.29 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 73.24 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.952 ' HA ' HD12 ' A' ' 13' ' ' ILE . 31.0 tt0 -178.15 156.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.42 110.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' HG12 ' A' ' 48' ' ' VAL . 2.9 t -74.39 96.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 64.21 109.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' ILE . 75.6 t -94.09 115.35 65.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 72.03 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.56 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 74.12 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.414 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.4 ttm -69.01 117.22 10.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 50.05 110.97 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.43 -13.26 33.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.473 1.108 . . . . 55.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -74.77 117.84 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 71.12 110.367 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.46 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.2 m -49.64 136.07 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 55.4 110.425 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.707 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -78.81 130.63 35.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.31 109.292 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.616 ' O ' HD11 ' A' ' 32' ' ' ILE . 12.3 mmt -110.2 156.77 39.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 54.42 111.019 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.96 -20.62 16.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 64.23 111.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.12 12.0 37.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 74.23 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 mtm -114.55 7.0 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.44 110.998 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.738 HG21 HD22 ' A' ' 40' ' ' LEU . 45.0 t -127.52 135.19 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 62.33 109.268 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 2.9 mtmp? -81.2 152.57 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 72.11 109.284 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.26 3.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 30.1 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.9 t80 -83.62 173.06 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 72.3 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.597 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.47 151.03 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 65.23 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 71.11 110.989 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.2 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.506 0.193 . . . . 64.14 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -113.43 88.46 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.03 109.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -99.33 131.7 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 75.45 110.354 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.18 135.62 57.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 74.12 110.361 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -121.65 144.3 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 42.44 109.966 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.726 HG11 HD23 ' A' ' 55' ' ' LEU . 79.0 t -54.62 134.86 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 71.22 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 4' ' ' SER . 54.0 t -138.51 123.88 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 72.41 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.735 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -50.85 99.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 42.21 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.888 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.3 -13.67 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 45.52 109.273 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.427 HG13 ' C ' ' A' ' 8' ' ' ALA . 26.9 m -154.03 171.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 75.14 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.95 105.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 73.25 109.337 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.735 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.6 108.41 53.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 72.2 109.268 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.861 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.98 173.05 15.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.435 1.755 . . . . 74.52 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 47' ' ' GLN . 11.7 tt -67.58 155.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 72.45 109.328 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.46 52.5 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 72.34 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.861 HG21 ' HD2' ' A' ' 12' ' ' PRO . 34.0 m -120.47 119.33 32.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 74.53 110.399 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.17 128.97 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 61.11 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 11' ' ' ILE . 82.9 mt -85.26 141.04 30.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 63.24 109.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.519 ' O ' ' HE2' ' A' ' 22' ' ' MET . 31.3 p -129.2 171.98 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 73.53 110.364 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.59 -14.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 52.54 109.284 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.79 10.75 55.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 75.31 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.52 -33.19 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 64.54 111.007 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.519 ' HE2' ' O ' ' A' ' 18' ' ' THR . 48.1 mtm -97.6 176.85 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 65.4 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.888 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -166.28 171.26 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 51.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -112.56 131.68 55.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 64.01 110.393 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.72 144.38 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 61.32 110.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -78.79 82.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 70.44 109.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.87 158.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 71.51 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -128.05 136.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.11 109.997 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.08 153.36 99.01 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 65.45 110.957 0.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 p -66.02 118.45 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.3 110.397 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.55 -149.98 26.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 74.24 110.979 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.909 HD11 ' O ' ' A' ' 56' ' ' MET . 55.3 mt -40.79 142.46 0.81 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 74.01 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 150.88 38.68 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 74.12 111.008 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.19 42.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 51.41 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.31 -10.78 59.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 71.44 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -3.81 37.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.42 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.641 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.93 -48.87 90.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 75.42 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -8.45 20.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 75.43 111.01 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.0 mtp-105 -97.62 -16.1 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 65.44 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 55' ' ' LEU . 24.4 mt -88.52 -23.73 23.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 72.11 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -56.0 135.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 61.03 109.245 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.71 -11.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 74.25 109.976 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.92 132.98 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 60.33 111.014 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.72 154.51 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.4 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.9 m -87.21 156.45 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 63.12 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.0 p30 -107.28 32.0 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.25 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.533 ' HA ' HD12 ' A' ' 13' ' ' ILE . 28.4 tt0 -178.3 155.82 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 71.41 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.5 t -76.53 96.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 44.12 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' ILE . 78.0 t -94.59 115.68 65.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.33 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.71 40.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 73.21 110.99 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.1 ttp -62.2 118.83 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.52 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.44 -14.08 36.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 75.44 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -76.84 117.26 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 74.33 110.401 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.696 ' OG1' HG21 ' A' ' 27' ' ' VAL . 6.4 m -49.87 138.15 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 72.42 110.333 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 40' ' ' LEU . 5.8 tp -85.43 129.96 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 75.31 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.909 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.2 mmt -108.05 160.88 25.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 75.23 110.981 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.35 110.979 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.07 10.06 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 71.12 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -115.04 14.24 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 54.14 110.954 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.412 HG21 HD22 ' A' ' 40' ' ' LEU . 56.1 t -133.36 139.47 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 74.42 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 55.5 mttt -87.42 150.38 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 75.14 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.74 18.83 8.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 62.11 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -84.41 173.17 11.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 74.23 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.7 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 53.33 109.293 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.16 27.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.544 1.812 . . . . 55.34 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 72.54 109.334 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 1' ' ' ASN . 6.4 tpp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.455 0.169 . . . . 71.01 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 0' ' ' MET . 7.9 m-20 -95.12 87.95 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 62.35 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.422 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.96 133.47 45.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 72.3 110.321 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.11 136.93 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.01 110.285 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -121.9 143.01 49.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 61.3 109.998 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.765 ' CG1' HD12 ' A' ' 55' ' ' LEU . 71.0 t -56.16 134.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.22 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 4' ' ' SER . 55.6 t -137.06 127.62 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 54.12 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -53.29 98.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 75.21 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.914 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.21 -13.6 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 43.1 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG13 ' C ' ' A' ' 8' ' ' ALA . 25.3 m -153.93 172.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.32 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.39 105.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.11 109.25 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.754 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.11 108.07 53.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.52 109.287 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.824 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 73.4 110.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.532 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 9.1 tt -68.18 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 65.21 109.297 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER 40.45 51.19 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.31 109.275 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.824 HG21 ' HD2' ' A' ' 12' ' ' PRO . 42.3 m -120.27 120.29 35.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 74.35 110.385 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 131.22 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 44.42 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 11' ' ' ILE . 79.1 mt -88.21 139.18 30.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 74.24 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' CE ' ' A' ' 22' ' ' MET . 26.1 p -124.72 173.33 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.2 110.409 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.37 -13.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.05 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.68 10.79 49.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 74.53 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -114.65 -31.48 6.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 72.24 110.996 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 18' ' ' THR . 52.4 mtm -97.58 176.37 5.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 74.41 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.914 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -165.48 169.74 15.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 73.13 110.415 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 69.6 p -112.9 128.61 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 64.3 110.393 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 143.03 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.21 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 82.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 63.42 109.284 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.816 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.86 158.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 71.4 109.345 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.8 t -128.0 136.12 28.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 71.41 109.984 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.014 -2.494 . . . . 73.05 111.007 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 p -64.19 118.78 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 54.35 110.421 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.33 25.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 74.03 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.818 HD11 ' O ' ' A' ' 56' ' ' MET . 72.8 mt -42.0 142.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 75.33 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 149.16 36.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.572 1.828 . . . . 45.12 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.76 -13.14 41.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 72.42 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.64 -10.75 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 75.03 110.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -98.28 -4.69 34.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 72.42 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.739 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.29 -49.15 86.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 70.25 109.309 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -8.39 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 50.24 110.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.721 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 9.7 mtp-105 -97.4 -22.96 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 64.12 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.797 HD11 HG21 ' A' ' 32' ' ' ILE . 30.4 mt -80.57 -22.34 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 72.33 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.69 135.57 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 73.4 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.74 -11.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 75.32 110.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.406 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.0 mtm -99.93 134.19 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.34 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -93.3 151.93 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.43 110.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG13 HD21 ' A' ' 17' ' ' LEU . 18.7 m -84.67 151.59 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 75.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.9 p30 -102.39 33.78 3.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.23 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 29.4 tt0 -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 74.25 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.1 t -76.02 96.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 65.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' ILE . 96.2 t -95.26 113.22 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 70.15 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.0 161.39 38.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 72.31 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.0 ttp -63.34 120.14 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 74.24 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.92 -10.22 44.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 71.21 111.003 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 50' ' ' PRO . 17.7 m -80.58 115.73 20.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 41.53 110.415 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.816 ' OG1' HG21 ' A' ' 27' ' ' VAL . 21.2 m -49.73 137.13 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.33 110.415 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.765 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.7 mt -84.04 140.32 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 63.14 109.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.818 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -117.39 159.73 40.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 53.44 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -18.81 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 64.52 111.033 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -102.18 9.94 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.12 109.288 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.2 mtm -111.63 9.26 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.23 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 40' ' ' LEU . 21.5 t -131.28 139.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 72.25 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 9.7 mttm -87.92 150.17 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 75.32 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.1 16.35 18.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 74.13 111.034 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -82.92 173.07 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 74.13 111.011 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.33 150.5 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 70.11 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.98 23.63 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 63.01 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.721 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.22 109.303 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.9 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.507 0.194 . . . . 63.4 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -134.02 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 74.02 109.261 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 131.71 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.34 110.287 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.05 134.24 56.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.12 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -120.37 143.3 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 73.43 109.997 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.713 HG22 HG13 ' A' ' 37' ' ' ILE . 66.1 t -54.63 134.93 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.45 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 4' ' ' SER . 54.7 t -137.16 126.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.1 109.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.666 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -52.68 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 73.5 109.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.735 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.41 -13.44 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 74.44 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 8' ' ' ALA . 24.1 m -153.35 169.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 71.22 109.362 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.2 tp -66.13 92.62 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.21 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.666 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -83.48 113.95 50.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.34 109.333 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.67 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.94 172.65 15.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 61.2 111.0 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.3 tt -71.81 150.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 72.21 109.31 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' ND2' HG12 ' A' ' 13' ' ' ILE . 56.0 m-80 47.3 50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 61.12 109.356 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.67 HG21 ' HD2' ' A' ' 12' ' ' PRO . 25.4 m -124.45 119.37 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 71.53 110.425 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.18 133.93 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.628 ' CD2' HG21 ' A' ' 11' ' ' ILE . 63.3 mt -87.07 143.69 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.33 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' HE2' ' A' ' 22' ' ' MET . 28.8 p -127.7 171.84 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.24 110.423 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -77.87 -13.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 65.43 109.324 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.41 10.81 50.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 71.42 111.03 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.8 mtm -115.69 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 72.44 110.994 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.52 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -97.4 176.89 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 71.41 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -166.1 170.83 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 74.14 110.398 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.486 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.6 p -113.54 128.81 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 75.35 110.402 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.33 144.23 18.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 71.34 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.38 81.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.24 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.4 m -106.52 159.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 54.2 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.19 135.96 28.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 51.51 110.004 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.01 153.39 99.12 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.997 -2.501 . . . . 63.12 110.975 0.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 p -66.88 118.94 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 73.23 110.415 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -97.11 -149.59 25.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 61.33 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.899 HD11 ' O ' ' A' ' 56' ' ' MET . 57.0 mt -40.48 142.46 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 72.33 109.269 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 151.21 39.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 75.4 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.82 -13.05 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.14 109.305 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.84 -10.69 59.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 72.11 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -97.6 -5.4 35.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 53.34 109.298 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.713 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.82 -49.07 85.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 72.51 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 71.33 110.932 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.1 mtp-105 -97.49 -19.86 18.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 65.04 110.289 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.808 HD13 HD23 ' A' ' 55' ' ' LEU . 18.5 mt -84.11 -22.6 31.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.23 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.97 135.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 71.23 109.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -10.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.1 109.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -100.03 131.1 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 61.04 110.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.03 157.21 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 54.04 110.356 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 17' ' ' LEU . 24.4 m -90.11 156.05 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 74.44 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.566 ' HA ' ' HZ3' ' A' ' 61' ' ' LYS . 21.8 p30 -107.76 31.88 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.34 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 28.3 tt0 -178.64 156.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.44 110.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.7 t -77.71 102.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 52.43 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG13 ' CG2' ' A' ' 53' ' ' THR . 93.4 t -95.8 114.88 64.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.03 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 138.02 22.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 53.43 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.42 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -43.47 120.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 60.21 110.988 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.39 -6.19 45.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 62.33 111.026 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.467 HG21 ' HD2' ' A' ' 50' ' ' PRO . 7.4 m -83.48 118.03 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 72.44 110.411 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.63 ' OG1' HG21 ' A' ' 27' ' ' VAL . 5.6 m -49.72 136.47 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 64.42 110.414 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.808 HD23 HD13 ' A' ' 40' ' ' LEU . 6.5 tp -84.59 130.33 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 62.52 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.899 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.1 mmt -107.79 160.94 24.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 75.4 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.03 -22.36 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 63.42 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 7.69 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 60.4 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.7 mtm -113.18 18.15 18.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 73.11 110.953 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.26 135.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.21 109.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.566 ' HZ3' ' HA ' ' A' ' 46' ' ' ASN . 8.4 mtmm -85.73 148.89 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.11 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.11 15.63 22.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 54.21 110.994 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 17.1 t80 -82.8 172.9 12.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 74.43 111.006 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.73 150.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 52.31 109.268 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -176.14 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 72.25 111.019 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 13.42 109.29 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.502 0.191 . . . . 61.4 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -133.07 87.74 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 72.01 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.36 133.35 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 54.1 110.287 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.19 140.56 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.22 110.278 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -126.7 142.85 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 53.32 110.01 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.867 HG22 HG13 ' A' ' 37' ' ' ILE . 70.3 t -54.66 133.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.51 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.829 ' O ' HG22 ' A' ' 23' ' ' THR . 56.1 t -137.69 118.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.25 109.254 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.674 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -44.01 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.54 109.262 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -65.35 -11.82 45.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 70.12 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.518 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 33.9 m -155.58 170.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 63.03 109.317 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 50' ' ' PRO . 5.2 tp -64.5 101.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 51.41 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.674 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -95.53 111.1 54.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 75.51 109.274 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.06 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 73.34 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.509 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 9.0 tt -68.93 154.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER 40.89 53.32 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 70.22 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.775 HG21 ' HD2' ' A' ' 12' ' ' PRO . 23.2 m -122.96 119.57 30.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 53.44 110.402 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.15 128.76 25.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 65.24 109.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.604 ' CD2' HG21 ' A' ' 11' ' ' ILE . 59.6 mt -84.55 143.68 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 62.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CE ' ' A' ' 22' ' ' MET . 39.8 p -127.14 175.99 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.44 110.391 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -81.03 -15.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.55 109.322 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.86 10.68 55.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 43.14 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.443 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -113.99 -31.78 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 62.43 111.001 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 18' ' ' THR . 57.3 mtm -98.24 173.05 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 63.42 110.977 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 6' ' ' VAL . 5.2 t -163.35 169.45 19.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 74.43 110.4 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.54 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 67.4 p -112.05 128.45 56.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.14 110.377 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.2 142.46 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 74.45 110.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 t -75.56 82.55 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 62.11 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.668 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.32 160.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 74.4 109.316 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -130.62 136.3 28.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 51.42 109.986 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.07 153.45 99.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.011 -2.495 . . . . 61.13 110.989 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 p -64.59 116.89 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.41 110.417 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.67 -148.92 24.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 62.1 110.979 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 40' ' ' LEU . 82.5 mt -40.57 142.41 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 72.41 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 151.12 39.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 43.21 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.54 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.54 -13.9 45.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.41 109.334 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.87 -12.97 58.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.23 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.37 -5.58 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 73.53 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.867 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -53.66 -48.54 92.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 63.01 109.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -7.48 19.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 54.21 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 16.7 mtp-105 -97.41 -19.72 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 71.32 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 32' ' ' ILE . 24.3 mt -84.88 -23.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 61.54 109.244 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -55.37 136.28 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 42.03 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.36 -11.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 44.32 110.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.8 mtm -100.31 133.24 45.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 75.22 111.019 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -91.17 149.46 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 60.44 110.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.6 m -82.36 156.98 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 62.41 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.1 p30 -107.64 30.98 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 73.35 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 29.3 tt0 -177.06 156.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.32 110.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -74.78 96.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.01 109.326 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 11' ' ' ILE . 85.1 t -94.2 114.16 62.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 70.51 109.284 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.5 Cg_endo -74.93 163.35 35.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 55.34 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 33.0 ttm -66.18 118.55 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 75.32 111.024 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.79 -14.64 34.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 65.04 111.02 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -74.23 118.76 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 74.11 110.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.668 ' OG1' HG21 ' A' ' 27' ' ' VAL . 22.9 m -49.77 139.81 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.4 110.396 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.24 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 72.2 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.688 ' O ' HD11 ' A' ' 32' ' ' ILE . 15.5 mmt -110.91 157.34 38.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 65.43 110.957 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -23.56 13.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 71.23 111.024 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 14.52 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.3 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -116.34 7.0 13.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 71.22 110.986 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 40' ' ' LEU . 39.8 t -128.01 137.8 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 63.04 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 15.3 mtmt -85.0 149.17 25.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 73.11 109.268 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.73 17.35 14.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 72.52 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.4 t80 -82.81 173.08 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 74.21 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.599 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.74 151.21 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.42 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.82 30.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 65.55 111.003 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 44.54 109.281 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.509 0.195 . . . . 72.21 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -82.35 88.97 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 72.13 109.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.7 133.61 44.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 70.11 110.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.0 139.1 39.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 74.23 110.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -124.77 143.9 50.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.12 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD23 ' A' ' 55' ' ' LEU . 59.4 t -54.72 136.38 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 55.24 109.329 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 4' ' ' SER . 75.5 t -139.22 127.29 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 62.22 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.683 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -53.54 99.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 74.5 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.23 -13.53 38.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 33.33 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.49 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 33.5 m -156.56 173.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.03 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.36 104.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 71.24 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.683 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -99.88 108.85 53.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 63.11 109.285 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.849 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.95 172.3 16.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 53.43 111.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.6 tt -67.43 155.11 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.53 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 0.8 OUTLIER 41.06 52.48 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 64.13 109.28 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.849 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.4 m -120.22 120.21 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 70.24 110.408 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.15 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.24 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 83.1 mt -85.22 140.31 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 70.55 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.471 ' O ' ' HE2' ' A' ' 22' ' ' MET . 13.1 p -127.73 172.19 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 74.12 110.368 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.14 -13.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 73.33 109.282 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.15 10.77 51.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 62.4 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -115.55 -33.71 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.764 . . . . 65.15 110.987 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.471 ' HE2' ' O ' ' A' ' 18' ' ' THR . 48.7 mtm -97.79 172.89 7.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 74.14 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.819 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -163.24 170.06 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 70.44 110.419 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.568 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 76.9 p -111.42 136.17 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.02 110.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 143.31 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.04 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -77.83 81.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 32.4 109.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.43 158.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 70.35 109.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -127.38 135.9 28.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 75.04 109.989 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.977 -2.51 . . . . 72.21 111.023 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 p -67.4 121.17 15.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 72.42 110.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -98.0 -150.14 25.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 71.3 110.99 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.918 HD11 ' O ' ' A' ' 56' ' ' MET . 40.2 mt -41.92 142.35 1.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 72.23 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.694 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.78 34.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 73.43 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.69 -16.95 59.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.41 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.96 -3.18 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 63.13 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.53 -1.79 16.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.02 109.302 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.592 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -52.38 -48.23 90.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 73.1 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 73.53 111.027 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -97.56 -26.03 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.31 110.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD13 HD23 ' A' ' 55' ' ' LEU . 25.1 mt -77.5 -25.46 50.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 72.5 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.52 136.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 61.03 109.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.83 -11.18 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 73.53 109.984 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.91 129.88 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.44 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.91 156.81 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 74.34 110.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.8 m -89.95 153.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 73.44 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.1 p30 -105.92 32.29 4.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 32.32 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 30.6 tt0 -178.61 156.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 72.34 110.253 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -76.22 97.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 60.33 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 84.3 t -94.94 111.52 54.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 74.01 109.281 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 53.31 111.024 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 11.5 ttm -53.95 121.43 8.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 61.42 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -15.52 48.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 51.44 111.033 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.451 HG21 ' HD2' ' A' ' 50' ' ' PRO . 38.6 m -73.93 114.2 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.777 . . . . 54.11 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.9 m -49.96 133.21 22.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.44 110.442 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 40' ' ' LEU . 6.6 tp -81.78 130.2 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 64.23 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.918 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.1 mmt -108.04 161.08 24.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 75.23 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -20.57 16.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 65.22 110.991 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.25 7.25 44.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 64.32 109.296 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.1 mtm -113.0 23.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 74.33 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 98.5 t -140.7 143.52 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 73.23 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.1 mttt -89.81 144.22 26.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 55.34 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.23 28.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 63.33 110.995 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 21.7 t80 -77.07 172.09 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 72.14 111.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.641 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.28 150.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 62.44 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.25 3.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 72.33 110.978 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 63.31 109.355 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 18.6 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.501 0.191 . . . . 45.31 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.89 88.34 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 71.4 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.427 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.73 133.51 45.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.01 110.288 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.67 133.68 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 55.42 110.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.88 144.69 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.14 109.969 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 55' ' ' LEU . 53.5 t -54.8 136.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 71.53 109.234 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 4' ' ' SER . 59.7 t -140.74 124.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 64.22 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.708 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.16 98.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 43.23 109.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.903 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.16 -13.64 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 71.03 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 ' C ' ' A' ' 8' ' ' ALA . 36.0 m -154.82 171.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 63.41 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.61 105.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 61.34 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.708 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -101.16 107.88 52.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 73.25 109.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.838 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 54.44 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.509 HG23 ' ND2' ' A' ' 14' ' ' ASN . 2.5 tt -69.43 151.62 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 70.31 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER 47.9 48.02 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.43 109.314 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.838 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.4 m -119.27 118.56 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 74.33 110.358 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.58 130.28 31.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.11 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 ' CG1' ' A' ' 45' ' ' VAL . 80.5 mt -83.5 141.37 31.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 55.12 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' HE2' ' A' ' 22' ' ' MET . 11.5 p -129.4 171.71 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 65.01 110.368 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.25 -15.17 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 74.14 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.49 10.7 56.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.091 . . . . 54.2 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.34 -33.33 4.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 64.22 111.001 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.444 ' HE2' ' O ' ' A' ' 18' ' ' THR . 56.0 mtm -97.33 175.01 6.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.4 110.972 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.903 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -165.41 169.66 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 73.11 110.403 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.595 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.9 p -111.72 131.15 55.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 71.54 110.38 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.14 147.39 17.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 64.42 110.269 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 t -81.07 81.09 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 75.31 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.656 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.46 158.62 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 73.14 109.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.0 t -128.11 136.06 28.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.13 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.95 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.026 -2.489 . . . . 62.31 111.038 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 p -66.71 119.19 11.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.34 110.397 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' A' ' 56' ' ' MET . . . -96.13 -149.37 25.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 54.32 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.902 HD11 ' O ' ' A' ' 56' ' ' MET . 41.5 mt -42.01 142.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 63.1 109.259 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.695 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 148.57 35.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 71.04 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.35 -15.29 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 74.33 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.33 -6.75 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 75.51 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -106.22 -2.65 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 73.4 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.626 HG13 HG22 ' A' ' 5' ' ' VAL . 1.3 mt -52.49 -48.07 91.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 74.32 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.6 Cg_endo -74.95 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.803 . . . . 73.04 111.053 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.759 HH21 ' HB2' ' A' ' 66' ' ' ALA . 2.8 mtp-105 -97.46 -27.67 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 75.35 110.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.792 HD13 HD23 ' A' ' 55' ' ' LEU . 23.8 mt -75.84 -24.68 55.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.42 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.26 136.18 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 64.21 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.75 -11.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 51.11 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -100.61 128.75 46.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.24 111.053 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' THR . 14.3 mt-30 -86.43 158.14 19.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 61.14 110.292 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG1' HD21 ' A' ' 17' ' ' LEU . 19.6 m -89.69 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.41 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -105.07 32.64 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 65.23 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 30.8 tt0 -178.55 156.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.31 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.0 t -75.52 97.05 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 44.22 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 94.9 t -96.04 112.63 60.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 70.54 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 158.11 42.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 53.32 110.989 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 ttp -59.62 119.23 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 74.1 111.033 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.8 -14.67 37.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 72.11 111.011 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.404 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 18.4 m -76.18 115.6 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 73.43 110.428 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.656 ' OG1' HG21 ' A' ' 27' ' ' VAL . 5.9 m -49.65 137.12 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.14 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 40' ' ' LEU . 6.4 tp -85.19 130.2 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 72.21 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.902 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -107.69 160.96 24.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 70.14 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.0 -20.82 16.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 60.24 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.49 5.83 46.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 74.21 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.4 mtm -112.34 24.18 12.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 65.24 110.958 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 93.8 t -140.41 143.45 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.14 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -89.06 146.28 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.52 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.38 16.44 15.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.12 . . . . 73.32 110.989 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 26.2 t80 -77.86 172.71 13.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 71.42 111.035 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.639 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.57 149.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.44 109.324 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.14 18.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 75.33 110.999 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.759 ' HB2' HH21 ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 65.55 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.523 0.201 . . . . 72.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -70.58 88.24 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 64.34 109.281 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.71 133.44 45.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 72.13 110.278 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.97 133.32 48.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 72.12 110.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.78 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 40.15 109.968 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.709 HG11 HD23 ' A' ' 55' ' ' LEU . 74.9 t -54.64 134.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 70.12 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 23' ' ' THR . 54.1 t -138.42 127.21 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.32 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.76 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -54.06 100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 34.15 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.28 -13.58 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 109.313 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 8' ' ' ALA . 23.7 m -152.91 168.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 73.43 109.295 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.3 tp -63.97 94.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 71.2 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.76 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.61 113.74 52.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 73.45 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.96 173.1 15.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.519 1.799 . . . . 54.34 111.036 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.3 tt -72.61 152.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 65.21 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m120 46.74 48.37 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 72.31 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.668 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.5 m -121.66 121.25 36.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.24 110.406 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.19 136.16 43.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 72.11 109.328 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' CG1' ' A' ' 45' ' ' VAL . 81.2 mt -87.85 141.06 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 71.11 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.479 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.4 p -127.88 171.3 11.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.21 110.421 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -76.94 -14.67 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 73.14 109.324 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.18 10.72 55.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 64.33 111.024 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.445 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -115.95 -34.28 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 73.52 111.018 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.479 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.0 mtm -97.38 177.21 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 74.45 110.997 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -166.76 171.39 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.22 110.372 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.577 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.9 p -112.5 126.98 55.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.34 110.403 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.74 142.94 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 73.44 110.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -77.21 81.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 73.2 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.699 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.76 159.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 71.24 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.48 135.98 28.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 75.31 109.981 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -74.99 153.45 99.17 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.982 -2.507 . . . . 42.11 110.989 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 p -66.63 119.09 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 75.5 110.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.432 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.4 -149.9 26.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 33.13 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.904 HD11 ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.55 142.29 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 72.01 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.98 149.39 36.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 55.11 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.89 -15.54 59.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 65.54 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -78.58 -8.02 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 74.21 110.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -104.51 -1.77 26.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.21 109.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.648 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -52.45 -48.0 91.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 73.15 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.779 . . . . 74.31 110.974 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -97.51 -26.77 14.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 53.41 110.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.828 HD13 HD23 ' A' ' 55' ' ' LEU . 21.4 mt -76.85 -24.35 52.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 70.14 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.72 136.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 73.55 109.264 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.8 -11.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 71.22 109.99 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -98.86 128.57 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.23 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' THR . 19.1 mt-30 -86.03 157.42 20.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 73.24 110.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' CG1' HD21 ' A' ' 17' ' ' LEU . 24.5 m -92.14 151.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 52.41 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.5 ' HA ' ' HZ1' ' A' ' 61' ' ' LYS . 21.9 p30 -104.95 32.33 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.12 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 13' ' ' ILE . 29.3 tt0 -178.57 156.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 73.31 110.28 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.433 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -77.81 103.54 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 71.33 109.34 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 53' ' ' THR . 93.0 t -97.25 114.09 64.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 60.3 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.459 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 141.01 26.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 71.11 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.421 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -45.68 119.69 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 73.33 111.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.76 -5.73 43.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.137 . . . . 72.22 111.003 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.459 HG21 ' HD2' ' A' ' 50' ' ' PRO . 14.4 m -83.64 116.94 22.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.74 . . . . 64.24 110.358 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.699 ' OG1' HG21 ' A' ' 27' ' ' VAL . 7.4 m -49.74 135.77 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 74.2 110.366 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 40' ' ' LEU . 6.6 tp -84.11 130.3 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 65.2 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.904 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.4 mmt -107.14 161.26 23.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 73.04 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.95 -20.6 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 63.43 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 7.08 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 63.42 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -111.71 23.89 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 64.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG12 ' HE3' ' A' ' 43' ' ' MET . 40.8 t -146.58 133.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.44 109.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HZ1' ' HA ' ' A' ' 46' ' ' ASN . 12.6 mttm -81.56 149.33 28.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.14 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.18 13.85 30.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 72.1 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.6 t80 -78.43 171.64 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 65.31 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.645 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.29 149.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 62.34 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.12 3.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 73.55 111.01 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 62.32 109.279 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.528 0.204 . . . . 65.24 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -131.18 88.48 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.25 109.288 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.94 133.52 46.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 64.03 110.286 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -68.78 134.33 49.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 63.44 110.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -121.92 143.14 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.11 109.992 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.719 HG11 HD23 ' A' ' 55' ' ' LEU . 71.6 t -54.64 135.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 72.22 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 4' ' ' SER . 54.3 t -138.98 125.51 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 64.41 109.254 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.694 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.13 98.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.54 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.894 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.18 -13.58 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 72.34 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 35.1 m -155.47 173.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.24 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.31 104.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 72.21 109.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.694 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.29 108.56 53.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 63.12 109.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.867 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.95 172.7 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 71.24 111.025 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.537 ' O ' ' ND2' ' A' ' 14' ' ' ASN . 17.7 tt -67.37 155.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 74.1 109.303 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER 40.54 51.75 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 61.14 109.337 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.867 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.2 m -118.79 118.86 32.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.45 110.351 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.6 125.97 14.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.01 109.289 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 75.6 mt -82.8 139.81 33.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 63.52 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.51 ' O ' ' HE2' ' A' ' 22' ' ' MET . 12.9 p -127.81 171.42 11.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 72.41 110.417 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.63 -12.96 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 70.35 109.322 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.62 10.71 49.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 73.11 111.001 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -115.61 -31.97 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 45.03 111.014 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 18' ' ' THR . 47.7 mtm -98.75 175.28 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 71.24 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.894 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -164.19 170.46 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 62.23 110.428 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.56 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 74.3 p -113.52 128.18 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 44.55 110.37 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.65 143.06 19.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 60.24 110.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.11 81.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 62.3 109.303 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.4 m -106.94 160.86 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 72.33 109.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.46 135.87 28.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 74.12 110.063 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.4 99.15 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.02 -2.492 . . . . 71.24 111.013 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 p -66.97 118.98 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 71.15 110.437 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.06 25.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.132 . . . . 72.4 111.01 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.907 HD11 ' O ' ' A' ' 56' ' ' MET . 55.7 mt -41.58 142.46 1.02 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 73.2 109.329 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.02 150.58 38.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 74.43 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.56 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.69 -12.92 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 71.4 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -80.7 -11.45 59.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.23 110.273 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.1 t70 -96.65 -5.83 38.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 73.13 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.24 -49.3 82.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.52 109.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -9.57 20.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 75.41 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 8.5 mtp-105 -97.23 -16.06 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 71.44 110.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.776 HD13 HD23 ' A' ' 55' ' ' LEU . 22.9 mt -88.48 -22.8 23.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 60.32 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -57.0 135.94 20.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 70.41 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.62 -11.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 32.15 109.969 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.2 132.65 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 71.1 110.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -92.2 145.85 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 72.43 110.276 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.3 m -77.7 155.9 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.14 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.3 p30 -106.31 31.92 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.23 109.265 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 28.6 tt0 -178.55 155.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.05 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -75.55 96.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.31 109.306 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 81.7 t -94.43 113.49 61.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 75.24 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.01 158.52 42.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 74.33 111.0 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 32.3 ttm -60.02 121.3 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.41 111.009 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.07 -12.12 48.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 54.32 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.408 HG21 ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -78.71 116.06 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 63.4 110.363 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.494 HG23 ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.77 137.55 16.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 74.4 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.776 HD23 HD13 ' A' ' 40' ' ' LEU . 5.8 tp -84.62 129.99 34.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 64.31 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.907 ' O ' HD11 ' A' ' 32' ' ' ILE . 11.6 mmt -108.12 159.42 30.67 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 71.03 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.572 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.97 -21.46 15.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 44.14 111.002 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.67 9.28 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 73.34 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.407 ' HE2' ' CG ' ' A' ' 56' ' ' MET . 13.2 mtm -116.36 15.33 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 51.04 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 62.1 t -131.51 139.31 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 70.33 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 20.3 mtmt -86.92 150.46 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 74.22 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.27 19.54 5.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 64.04 110.99 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 23.0 t80 -83.92 172.99 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 75.25 111.036 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.7 148.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 70.23 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 176.4 9.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 71.1 111.03 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.597 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 63.4 109.293 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.484 0.183 . . . . 61.11 110.988 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -132.88 88.82 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 70.32 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -99.58 131.55 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 62.41 110.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.79 130.69 47.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 72.43 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -119.23 143.97 47.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 70.24 110.012 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.892 HG22 HG13 ' A' ' 37' ' ' ILE . 72.3 t -54.6 134.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 61.4 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 27' ' ' VAL . 53.0 t -137.78 121.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.33 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -45.37 102.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.51 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.829 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -67.61 -10.41 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 44.42 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.6 m -157.75 169.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.5 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.0 tp -64.89 93.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 71.13 109.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.589 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -84.18 114.07 52.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 64.51 109.266 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.917 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 71.33 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 47' ' ' GLN . 6.7 tt -70.55 152.64 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 74.21 109.273 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 42.92 53.4 5.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.01 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.621 HG21 ' HD2' ' A' ' 12' ' ' PRO . 34.2 m -123.8 126.5 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 63.21 110.382 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.52 130.82 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 53.13 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 11' ' ' ILE . 64.8 mt -83.5 142.12 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 64.34 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.0 p -127.74 170.82 12.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 64.42 110.427 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.96 -13.55 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 73.33 109.304 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.82 52.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 44.23 111.062 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.581 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -115.57 -33.8 5.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 74.44 111.002 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.433 ' HE2' ' O ' ' A' ' 18' ' ' THR . 46.9 mtm -97.76 169.76 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 61.52 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.829 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -158.94 170.08 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.45 110.395 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.542 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 82.3 p -111.56 130.27 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.4 110.355 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.9 145.49 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.54 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.99 82.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.22 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.686 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.52 158.78 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 60.43 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.2 t -127.79 135.99 28.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.04 109.955 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.3 99.09 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.947 -2.522 . . . . 74.2 111.039 -0.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 p -65.82 117.77 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 52.11 110.395 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.08 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 71.01 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.78 HG21 HD11 ' A' ' 40' ' ' LEU . 93.3 mt -40.77 142.49 0.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 74.01 109.293 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 150.89 39.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 74.1 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.542 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.62 -13.36 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.23 109.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.9 -13.91 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 53.21 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.21 -6.09 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 64.24 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.892 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.8 -48.68 90.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.31 109.32 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 70.11 111.008 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 14.0 mtp-105 -97.58 -17.34 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.25 110.274 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 32' ' ' ILE . 14.4 mt -87.73 -23.55 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.32 109.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -56.16 136.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 75.31 109.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.27 -10.95 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 55.1 110.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.38 131.81 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.25 111.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -86.54 149.9 24.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 73.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.2 m -89.71 145.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 43.23 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.4 p30 -92.28 25.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 71.44 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.645 ' HA ' HD12 ' A' ' 13' ' ' ILE . 28.3 tt0 -175.05 148.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 72.42 110.298 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.917 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.5 p -77.94 96.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 42.43 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' ILE . 59.8 t -83.71 121.08 76.1 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 72.35 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.32 26.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 74.41 110.951 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.409 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 45.0 ttp -47.59 119.83 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 74.1 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.03 -9.73 39.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 53.41 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.493 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 23.4 m -82.49 122.22 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 55.1 110.44 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.686 ' OG1' HG21 ' A' ' 27' ' ' VAL . 9.1 m -52.72 139.88 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 54.44 110.416 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.694 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -82.69 127.44 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 75.14 109.291 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.62 ' O ' HD11 ' A' ' 32' ' ' ILE . 18.8 mmt -107.5 157.38 35.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 74.22 111.015 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.6 Cg_endo -74.96 -26.99 10.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 52.14 111.06 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.47 17.17 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.31 109.292 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.06 7.73 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.22 110.966 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 40' ' ' LEU . 60.3 t -128.45 135.23 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 60.31 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 13.1 mtmt -83.73 147.62 27.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 74.23 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.14 15.47 22.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 72.23 111.003 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.3 t80 -81.96 173.24 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 74.14 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.94 150.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 64.01 109.318 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.08 25.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 70.42 110.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 63.23 109.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.5 ttt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.57 0.224 . . . . 73.31 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -117.71 88.64 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 52.44 109.305 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -102.06 133.42 46.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.35 110.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.31 137.54 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.24 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -124.32 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.1 109.967 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.657 HG22 HG13 ' A' ' 37' ' ' ILE . 74.9 t -54.59 134.93 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 74.5 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.827 ' O ' HG22 ' A' ' 23' ' ' THR . 61.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.53 109.3 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.713 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -47.45 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 71.45 109.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.768 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -64.53 -12.34 43.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 72.33 109.297 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.444 HG13 ' C ' ' A' ' 8' ' ' ALA . 26.6 m -153.57 170.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 70.43 109.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.3 tp -64.46 103.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 71.23 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.713 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -99.01 109.56 54.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.22 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.891 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.01 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 73.33 111.023 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.9 tt -67.17 156.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 35.14 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 40.65 51.26 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 52.03 109.259 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.891 HG21 ' HD2' ' A' ' 12' ' ' PRO . 54.4 m -119.96 118.6 31.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.34 110.407 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.38 127.35 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 75.22 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.576 ' CD2' HG21 ' A' ' 11' ' ' ILE . 73.3 mt -84.16 139.8 32.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 73.13 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.529 ' O ' ' HE2' ' A' ' 22' ' ' MET . 30.0 p -125.51 172.64 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 71.34 110.402 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.83 -13.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.35 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.75 10.69 49.2 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 71.43 111.02 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.4 mtm -114.88 -31.67 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 73.5 110.991 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.529 ' HE2' ' O ' ' A' ' 18' ' ' THR . 50.0 mtm -99.13 177.09 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 42.12 111.005 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 6' ' ' VAL . 6.2 t -167.46 170.59 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 71.54 110.387 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.564 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.4 p -112.8 128.07 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 71.21 110.431 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.34 141.69 17.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 73.43 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.93 81.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 71.35 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -107.21 161.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 64.13 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.93 135.97 28.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 71.23 110.018 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.53 99.22 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.981 -2.508 . . . . 75.1 111.0 0.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 p -67.84 119.15 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.4 110.353 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.78 -150.22 26.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 63.22 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.832 HD11 ' O ' ' A' ' 56' ' ' MET . 93.6 mt -40.29 142.61 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 61.02 109.273 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.94 150.47 38.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 55.43 111.03 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.564 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.47 -13.27 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 43.54 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -80.15 -9.47 59.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 53.13 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.6 t70 -100.26 -4.81 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 63.11 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -52.31 -48.9 87.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 73.01 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.25 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.454 1.765 . . . . 62.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 8.5 mtp-105 -97.45 -23.14 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.15 110.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD13 HD23 ' A' ' 55' ' ' LEU . 25.0 mt -80.11 -23.04 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.13 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.42 135.57 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 73.34 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.82 -11.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 75.53 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.04 132.43 45.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 52.52 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.49 148.89 21.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 52.51 110.289 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.3 m -78.63 151.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 73.44 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 20.5 p30 -102.74 30.35 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 73.42 109.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 13' ' ' ILE . 33.0 tt0 -177.75 159.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.22 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.5 t -78.57 108.61 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 51.15 109.29 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -111.1 118.77 47.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 63.34 109.315 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.527 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 165.67 30.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 73.54 111.021 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.81 121.61 15.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 74.42 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.82 -17.23 39.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 72.21 110.967 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.414 ' HB ' HG23 ' A' ' 49' ' ' VAL . 3.1 m -72.23 115.67 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 71.34 110.386 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.603 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.4 m -49.44 132.52 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 74.05 110.434 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 40' ' ' LEU . 7.4 tp -79.82 132.69 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.32 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.832 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.5 mmt -108.59 161.72 22.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 74.21 111.037 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -24.7 12.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 75.12 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.91 10.07 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 50.22 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.4 mtm -113.03 16.22 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 64.22 111.036 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG21 HD22 ' A' ' 40' ' ' LEU . 20.5 t -137.82 141.88 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 51.1 109.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 57.4 mttt -89.04 150.77 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 70.44 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.81 18.65 11.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 65.15 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 16.5 t80 -84.21 172.94 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.772 . . . . 70.14 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.6 150.44 0.17 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 31.43 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 72.23 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 63.42 109.302 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.1 ttm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.516 0.198 . . . . 72.21 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -135.61 92.42 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.53 109.31 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -102.47 130.53 49.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 63.35 110.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.46 131.27 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 71.34 110.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -116.35 145.14 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 72.51 109.968 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.712 HG22 HG13 ' A' ' 37' ' ' ILE . 60.1 t -55.19 135.48 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 72.15 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 4' ' ' SER . 76.0 t -137.11 120.85 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 54.21 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.694 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.22 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.748 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.11 -13.62 38.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 70.34 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 8' ' ' ALA . 18.8 m -152.35 169.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 63.03 109.276 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.2 tp -64.31 101.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 71.4 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.694 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -96.94 110.65 54.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 73.23 109.274 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.814 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.05 173.26 14.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.44 1.758 . . . . 71.14 111.02 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 47' ' ' GLN . 15.6 tt -68.59 154.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.3 109.334 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 42.93 50.83 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.33 109.26 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.814 HG21 ' HD2' ' A' ' 12' ' ' PRO . 41.3 m -121.4 118.23 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 53.15 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.48 129.27 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 65.25 109.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' A' ' 11' ' ' ILE . 68.2 mt -86.03 140.65 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 44.15 109.337 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -127.38 169.79 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 72.34 110.377 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -75.72 -13.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 73.43 109.259 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.73 10.65 56.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 75.04 111.034 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.8 mtm -117.02 -33.81 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 64.42 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.455 ' HE2' ' O ' ' A' ' 18' ' ' THR . 47.8 mtm -97.53 178.64 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.55 110.96 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.748 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -167.74 175.65 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.33 110.412 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.528 ' CG2' HD12 ' A' ' 37' ' ' ILE . 68.9 p -116.15 136.01 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 74.42 110.437 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.47 140.72 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 72.2 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.1 t -77.73 82.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.31 109.294 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.8 m -106.59 163.36 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.31 109.272 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.58 135.22 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.3 109.986 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.69 99.3 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.966 -2.514 . . . . 72.55 111.009 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 p -69.59 118.31 12.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 64.53 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.72 -150.41 26.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 71.12 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.799 HD11 ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.46 142.64 0.74 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 73.35 109.277 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.94 38.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 70.33 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.28 -13.42 38.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 52.34 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -79.66 -8.57 59.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 72.34 110.251 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -101.84 -4.9 25.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 61.11 109.339 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.712 HG13 HG22 ' A' ' 5' ' ' VAL . 1.2 mt -52.34 -48.94 87.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 63.33 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -8.02 19.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 63.32 111.02 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.68 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 8.8 mtp-105 -97.37 -24.05 15.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 71.32 110.264 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.877 HD13 HD23 ' A' ' 55' ' ' LEU . 19.1 mt -79.21 -23.15 44.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 64.41 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.5 mt -56.69 135.62 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 71.24 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 t 84.7 -10.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.25 110.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.5 131.57 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.21 110.984 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.27 146.37 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.45 110.296 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.6 m -75.39 155.56 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.14 109.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.676 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -105.38 29.86 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 61.35 109.331 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.721 ' HA ' HD12 ' A' ' 13' ' ' ILE . 32.2 tt0 -178.55 159.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.33 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.4 t -77.99 109.05 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 72.32 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -111.21 119.48 45.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.3 109.324 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.526 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 164.38 33.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 63.31 111.037 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.6 ttp -66.15 121.58 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 74.13 110.967 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.94 -16.97 38.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 73.3 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' HG23 ' A' ' 49' ' ' VAL . 3.4 m -73.42 115.86 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 73.25 110.398 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.591 ' OG1' HG21 ' A' ' 27' ' ' VAL . 2.9 m -49.51 135.01 18.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 65.43 110.402 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.877 HD23 HD13 ' A' ' 40' ' ' LEU . 7.4 tp -81.73 131.76 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 74.35 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.799 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.3 mmt -106.63 161.96 21.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 73.13 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.98 -24.07 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 74.33 111.008 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 6.87 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.35 109.334 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.676 ' HA ' HD22 ' A' ' 46' ' ' ASN . 7.6 mtm -110.9 16.77 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 72.54 110.928 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG21 HD22 ' A' ' 40' ' ' LEU . 24.8 t -137.57 138.56 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 71.23 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 56.0 mttt -85.57 152.3 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.35 109.271 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.15 20.57 4.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 75.02 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 11.9 t80 -84.66 173.01 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 74.32 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.46 150.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 71.33 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.82 28.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 74.22 110.987 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.68 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 72.42 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.475 0.179 . . . . 70.41 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.01 93.69 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 61.42 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -104.5 129.81 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 73.41 110.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.76 132.08 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.51 110.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.79 142.86 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.11 109.959 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.877 HG22 HG13 ' A' ' 37' ' ' ILE . 71.1 t -54.57 136.36 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 64.03 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 4' ' ' SER . 52.0 t -138.98 119.8 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.12 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -43.83 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 65.01 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -66.95 -11.2 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 70.22 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.4 m -157.69 170.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 71.01 109.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.43 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 70.45 109.34 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.575 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -82.36 114.14 49.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 51.44 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.903 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 60.2 111.025 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 tt -70.51 153.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.13 109.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 41.14 54.41 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 53.11 109.285 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.612 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -123.59 128.86 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 70.42 110.384 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.73 131.62 51.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 64.24 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 45' ' ' VAL . 77.4 mt -84.87 140.49 31.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.12 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.474 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.3 p -125.78 173.8 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 75.31 110.37 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.98 -14.37 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.43 109.287 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.29 10.58 54.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 33.21 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.596 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -114.41 -32.43 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 43.13 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE2' ' O ' ' A' ' 18' ' ' THR . 62.6 mtm -97.73 168.82 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 75.04 111.022 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.819 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -158.65 166.44 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 73.25 110.427 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.535 HG22 HD12 ' A' ' 37' ' ' ILE . 23.9 p -109.22 134.95 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 74.4 110.4 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.24 143.95 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 75.22 110.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.65 81.68 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 44.12 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.3 m -106.32 157.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 63.11 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.66 135.59 27.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.02 110.043 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 153.06 98.9 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 74.23 111.022 0.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -69.65 118.82 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.02 110.419 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.26 -146.66 21.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 52.4 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.806 HD11 ' O ' ' A' ' 56' ' ' MET . 69.9 mt -42.76 142.67 1.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 65.12 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 150.91 38.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 75.31 110.982 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -12.61 39.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 64.44 109.324 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.79 -11.51 59.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.21 110.287 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.05 -4.91 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.14 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.877 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -53.27 -48.66 91.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 64.35 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -7.67 19.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 42.54 111.01 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.39 -20.18 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 74.03 110.313 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD11 HG21 ' A' ' 32' ' ' ILE . 29.8 mt -83.43 -24.52 31.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 73.42 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.52 135.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.44 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.41 -10.98 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 65.2 109.96 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.78 130.56 45.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 51.03 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' THR . 30.6 mt-30 -84.38 153.14 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.41 110.298 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.2 m -93.95 144.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.43 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.6 p30 -92.83 28.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 63.52 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -178.57 148.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 72.15 110.311 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.903 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -78.47 96.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.01 109.349 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ILE . 58.5 t -83.55 121.33 76.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.24 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.74 25.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 50.25 111.027 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.3 ttp -47.26 120.29 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 61.42 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.42 -9.66 41.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 42.23 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.476 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 22.9 m -82.62 121.53 26.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 61.32 110.415 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.483 HG23 ' CG2' ' A' ' 27' ' ' VAL . 2.9 m -51.32 139.86 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.32 110.389 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.713 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.17 125.77 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 65.15 109.294 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.806 ' O ' HD11 ' A' ' 32' ' ' ILE . 14.5 mmt -105.61 156.75 35.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 71.51 111.005 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -27.67 9.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 72.33 111.0 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.39 17.07 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 70.32 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 mtm -119.95 11.95 11.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 61.12 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.505 HG21 HD22 ' A' ' 40' ' ' LEU . 55.4 t -133.47 137.1 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 54.32 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 46.4 mttt -86.19 146.12 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 72.32 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.89 13.79 34.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 64.32 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.602 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 13.0 t80 -81.15 173.23 12.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 74.04 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.69 150.52 0.2 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 72.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 73.55 110.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.12 109.31 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.52 0.2 . . . . 71.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -95.09 88.44 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 73.52 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.25 133.5 45.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 73.32 110.326 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.63 131.23 42.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.03 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -119.12 141.75 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 71.33 110.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 37' ' ' ILE . 69.2 t -54.55 134.66 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 70.22 109.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.979 ' O ' HG22 ' A' ' 23' ' ' THR . 56.1 t -138.59 119.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 65.41 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.747 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.23 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.87 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.17 -13.59 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.34 109.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 8' ' ' ALA . 27.9 m -153.44 170.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.45 109.264 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.2 tp -62.7 104.79 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 42.15 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.747 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.14 108.57 52.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.54 109.272 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.822 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.96 172.71 15.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 71.14 110.97 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 47' ' ' GLN . 12.8 tt -67.96 155.92 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 71.14 109.323 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 40.25 51.7 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 73.55 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.822 HG21 ' HD2' ' A' ' 12' ' ' PRO . 39.9 m -120.31 120.25 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 71.31 110.423 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.66 129.82 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 75.33 109.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 11' ' ' ILE . 80.4 mt -85.81 140.37 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 65.1 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.527 ' O ' ' HE2' ' A' ' 22' ' ' MET . 13.6 p -127.43 173.71 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 64.23 110.397 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.37 -14.15 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.31 109.327 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.92 10.75 52.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 70.21 111.02 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -114.71 -31.45 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 72.53 110.999 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.527 ' HE2' ' O ' ' A' ' 18' ' ' THR . 52.5 mtm -99.81 173.72 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.54 111.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.979 HG22 ' O ' ' A' ' 6' ' ' VAL . 12.1 t -162.67 169.21 20.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 70.24 110.378 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.621 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.5 p -112.96 126.11 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 60.42 110.41 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -151.79 145.41 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 73.31 110.293 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.76 79.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.54 109.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.1 m -106.53 158.0 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 64.33 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.8 t -128.59 135.93 28.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 61.21 110.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 154.13 99.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.057 -2.476 . . . . 65.24 110.965 0.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.6 p -71.15 118.94 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 64.4 110.419 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' CA ' ' CE ' ' A' ' 56' ' ' MET . . . -95.01 -144.31 16.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 74.53 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 56' ' ' MET . 95.1 mt -43.07 140.71 1.91 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 62.4 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 148.09 34.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 72.51 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.621 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.13 -12.92 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 44.24 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.55 -9.91 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 33.25 110.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.88 -0.68 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.4 109.285 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.61 -48.82 89.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.31 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 74.12 111.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 mtp-105 -97.6 -18.16 19.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 62.01 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 32' ' ' ILE . 11.5 mt -86.35 -23.76 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.96 136.28 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 72.02 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.73 -11.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.1 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.442 ' HE3' HG12 ' A' ' 60' ' ' VAL . 2.9 mtm -98.24 134.47 41.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.11 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -93.72 149.21 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 75.24 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.5 m -82.85 155.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 65.23 109.283 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.2 p30 -106.46 32.71 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.2 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' A' ' 13' ' ' ILE . 29.2 tt0 -178.41 156.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 63.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.1 t -76.43 96.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 64.14 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 89.7 t -94.8 116.15 66.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 61.24 109.285 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.04 162.81 36.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 74.34 110.964 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.12 118.02 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.11 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.87 -13.41 34.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 50.23 110.982 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -77.34 117.94 19.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 73.04 110.409 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.83 139.35 13.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 73.41 110.386 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD23 HD13 ' A' ' 40' ' ' LEU . 6.7 tp -87.02 132.83 33.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 41.24 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.847 ' O ' HD11 ' A' ' 32' ' ' ILE . 18.7 mmt -109.07 159.52 30.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.54 111.05 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -16.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 75.21 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -103.81 7.64 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.52 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -110.67 11.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 70.03 111.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG12 ' HE3' ' A' ' 43' ' ' MET . 30.5 t -133.39 135.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 61.42 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 10.0 mttm -83.91 150.84 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 71.04 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.08 14.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 73.44 110.989 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 18.0 t80 -81.25 173.16 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 75.43 110.968 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.48 149.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 54.32 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.75 42.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 73.22 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' CB ' ' NE ' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 71.44 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.485 0.183 . . . . 64.03 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -138.9 93.0 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.32 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -103.67 129.49 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 73.3 110.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.75 133.14 50.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.31 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.88 144.59 46.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.42 110.011 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.882 HG22 HG13 ' A' ' 37' ' ' ILE . 68.9 t -54.56 135.82 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 71.23 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.893 ' O ' HG22 ' A' ' 23' ' ' THR . 52.8 t -139.79 118.81 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 75.24 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.764 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.42 99.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 62.11 109.253 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.863 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.1 -13.45 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 70.01 109.286 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 8' ' ' ALA . 24.8 m -154.19 171.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 75.1 109.255 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tp -62.84 105.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 71.05 109.273 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.764 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.24 108.61 53.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 75.1 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.846 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 173.11 15.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 73.1 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.0 tt -67.86 155.11 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 74.31 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 41.16 51.41 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.13 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.846 HG21 ' HD2' ' A' ' 12' ' ' PRO . 58.3 m -119.45 118.34 30.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 51.01 110.406 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 127.73 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.03 109.275 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 85.1 mt -82.5 138.56 34.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.42 109.273 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -127.46 168.42 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 74.14 110.418 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.8 p -75.03 -13.64 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.11 109.353 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.34 10.78 54.45 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.122 . . . . 15.44 110.973 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.02 -33.5 4.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 62.11 111.03 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.9 mtm -97.8 175.57 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 63.33 110.975 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 6' ' ' VAL . 7.1 t -164.89 171.24 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 74.54 110.432 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.683 ' CG2' HD12 ' A' ' 37' ' ' ILE . 70.1 p -113.01 127.94 56.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 72.45 110.406 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.78 140.2 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 75.54 110.272 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.35 82.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 62.55 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.5 m -106.55 161.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 73.23 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.3 t -128.43 135.44 27.56 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 61.43 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 153.26 99.07 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.983 -2.507 . . . . 75.24 110.987 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -67.51 119.03 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 63.31 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.529 ' HA2' ' HE2' ' A' ' 56' ' ' MET . . . -97.08 -148.98 24.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 75.33 111.024 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.868 HD11 ' O ' ' A' ' 56' ' ' MET . 73.3 mt -41.1 142.56 0.86 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 63.01 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 149.73 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 32.15 110.998 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.591 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.31 -12.75 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 65.33 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.99 -10.06 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 65.22 110.341 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' LEU . 1.2 m-20 -100.34 -6.7 25.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.31 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.882 HG13 HG22 ' A' ' 5' ' ' VAL . 1.5 mt -51.95 -48.27 88.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 64.52 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -8.1 19.74 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 62.11 110.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -97.93 -24.72 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 71.41 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD13 HD23 ' A' ' 55' ' ' LEU . 11.5 mt -77.49 -20.9 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.43 109.3 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.2 mm -54.84 134.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 75.32 109.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 3.3 t 85.03 -11.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 73.12 109.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -98.22 131.09 44.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.32 111.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.93 156.17 18.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 71.44 110.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 19.1 m -88.37 154.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 53.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.5 p30 -105.35 32.87 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.52 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 28.4 tt0 -178.5 155.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.35 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.3 t -76.3 96.78 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 72.13 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.0 t -94.76 115.63 65.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 71.14 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 65.11 110.989 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.8 ttp -61.39 119.98 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 53.05 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.33 -14.29 39.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 52.44 111.008 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -77.6 116.68 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 52.12 110.395 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.659 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.2 m -49.71 141.04 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 71.3 110.432 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD23 HD13 ' A' ' 40' ' ' LEU . 6.8 tp -87.96 130.27 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.4 109.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.868 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.4 mmt -106.38 161.16 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 65.32 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.96 -22.92 14.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 72.5 111.031 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -98.24 8.74 44.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 64.23 109.324 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 mtm -113.92 15.74 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 74.5 110.984 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG12 ' HE3' ' A' ' 43' ' ' MET . 48.3 t -135.73 137.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 62.43 109.266 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.2 mttt -86.68 149.95 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 63.13 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.49 17.8 13.8 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 64.35 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 16.3 t80 -83.36 173.25 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 75.04 110.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.37 149.87 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 62.13 109.284 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.63 2.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 52.42 111.023 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 51.23 109.303 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.0 tpt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.494 0.188 . . . . 74.33 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -146.15 92.76 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 74.33 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -101.43 129.67 47.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 62.42 110.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.43 131.66 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 64.31 110.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -115.97 145.76 42.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 43.43 109.998 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 37' ' ' ILE . 67.7 t -56.42 135.28 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 35.31 109.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 4' ' ' SER . 58.2 t -137.26 123.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 74.03 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.63 102.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 55.23 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.813 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -67.3 -9.72 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 64.54 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 8' ' ' ALA . 29.8 m -157.09 171.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.14 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.8 tp -65.36 103.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 75.23 109.34 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.632 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -99.26 109.05 53.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 70.44 109.35 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.872 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.97 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 54.22 111.035 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 47' ' ' GLN . 15.0 tt -67.72 154.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 71.15 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 42.3 50.68 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 74.14 109.301 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.872 HG21 ' HD2' ' A' ' 12' ' ' PRO . 54.7 m -120.36 117.47 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 51.34 110.37 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.13 129.17 20.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 43.11 109.282 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 11' ' ' ILE . 71.5 mt -84.98 139.93 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.2 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.446 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -126.92 170.33 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 73.42 110.421 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.46 -13.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 75.24 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 10.73 55.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 72.02 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.2 mtm -116.51 -32.8 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 64.12 111.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.446 ' HE2' ' O ' ' A' ' 18' ' ' THR . 53.2 mtm -98.28 177.21 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.54 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.813 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -167.37 171.45 10.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 72.43 110.42 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.572 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.2 p -112.64 137.18 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 72.4 110.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.87 144.51 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.33 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.62 82.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 63.31 109.275 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.596 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.5 m -106.6 162.02 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 50.23 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -129.71 135.55 27.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 53.21 110.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.02 153.74 99.29 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 72.21 110.971 0.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -68.88 118.78 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 70.31 110.43 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' HE1' ' A' ' 56' ' ' MET . . . -96.39 -150.24 26.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 53.23 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.82 HD11 ' O ' ' A' ' 56' ' ' MET . 79.6 mt -41.41 142.46 0.97 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 72.42 109.335 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.95 34.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.779 . . . . 45.25 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.572 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.13 -15.36 45.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 65.44 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.71 -1.99 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 60.01 110.292 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.71 -0.7 17.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 73.25 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -53.27 -48.42 92.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 75.32 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -7.55 19.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 62.11 110.98 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -97.62 -19.14 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 74.52 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.769 HD13 HD23 ' A' ' 55' ' ' LEU . 13.5 mt -85.07 -24.36 28.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 75.23 109.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.18 135.99 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 73.24 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.79 -11.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 75.2 109.975 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.411 ' HE3' HG12 ' A' ' 60' ' ' VAL . 2.9 mtm -99.43 129.17 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 63.23 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' THR . 18.2 mt-30 -90.24 147.59 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 72.35 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -77.21 153.39 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 72.21 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.523 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.5 OUTLIER -103.67 30.65 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 65.23 109.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 13' ' ' ILE . 33.0 tt0 -178.63 159.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 50.45 110.336 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.79 107.95 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 74.33 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.8 116.91 51.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 73.25 109.275 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.08 165.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 54.14 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.7 ttm -65.93 124.34 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 64.24 111.027 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.56 51.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 64.3 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.437 ' HB ' HG23 ' A' ' 49' ' ' VAL . 7.5 m -76.12 114.91 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 61.12 110.38 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.596 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.7 m -49.53 134.93 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 74.31 110.405 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.769 HD23 HD13 ' A' ' 40' ' ' LEU . 7.6 tp -80.81 130.91 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 75.03 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.82 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.8 mmt -106.44 161.93 21.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 73.42 111.034 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.577 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -23.92 13.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 65.23 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.34 7.65 46.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 60.42 109.297 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.523 ' HA ' HD22 ' A' ' 46' ' ' ASN . 8.0 mtm -111.94 20.34 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.54 110.979 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.411 HG12 ' HE3' ' A' ' 43' ' ' MET . 21.4 t -142.99 137.89 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 61.52 109.276 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 59.5 mttt -86.52 151.06 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 73.41 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.39 17.72 12.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 70.25 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 14.8 t80 -82.79 173.25 12.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 71.11 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.52 150.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 53.14 109.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.93 5.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 74.15 110.978 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 44.12 109.29 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.453 0.168 . . . . 60.4 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.23 88.66 2.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 74.41 109.32 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.92 133.6 45.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 73.34 110.348 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.84 134.06 48.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.03 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.77 144.5 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 63.41 109.972 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG11 HD23 ' A' ' 55' ' ' LEU . 77.0 t -54.65 134.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.55 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 23' ' ' THR . 64.2 t -137.35 124.11 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 62.42 109.308 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.635 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -48.95 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 50.22 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.8 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.86 -13.07 41.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 70.44 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.4 m -156.12 172.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 71.03 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.14 92.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 71.4 109.256 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.635 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -83.59 114.06 51.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.2 109.322 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.901 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.03 171.65 17.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.762 . . . . 73.44 110.947 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.5 tt -71.89 153.73 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 63.1 109.282 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 45' ' ' VAL . 6.7 m-20 44.2 50.18 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 43.41 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.633 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -121.04 128.24 52.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 50.33 110.44 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -58.3 135.49 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 53.33 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.65 HD21 ' CG1' ' A' ' 45' ' ' VAL . 82.1 mt -87.17 137.51 32.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 71.52 109.333 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.476 ' O ' ' HE2' ' A' ' 22' ' ' MET . 15.0 p -125.45 171.52 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 75.44 110.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.02 -13.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 71.04 109.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.73 10.47 52.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 32.3 111.029 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.511 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.5 mtm -115.07 -33.58 5.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 73.15 111.035 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.476 ' HE2' ' O ' ' A' ' 18' ' ' THR . 46.3 mtm -98.12 172.61 7.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 71.31 111.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.8 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 4.9 t -162.56 170.84 17.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 73.41 110.426 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.606 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 74.4 p -113.42 128.97 56.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 72.43 110.368 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.43 140.25 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 75.13 110.316 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.43 80.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 75.21 109.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.631 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.4 m -106.31 159.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 44.33 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.53 135.87 28.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.43 109.985 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.63 99.27 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 73.32 110.979 -0.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 p -69.1 119.51 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 54.14 110.391 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.66 -148.18 23.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 74.22 111.019 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.866 HD11 ' O ' ' A' ' 56' ' ' MET . 58.3 mt -41.66 142.42 1.05 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 72.24 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 148.97 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 71.24 111.026 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.606 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.74 -14.51 59.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.14 109.317 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.87 -7.99 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.54 110.31 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.91 -2.07 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 71.24 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.612 HG13 HG22 ' A' ' 5' ' ' VAL . 1.2 mt -52.26 -48.27 89.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 72.03 109.323 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.03 -6.28 17.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 75.24 111.01 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -97.44 -24.71 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.43 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 32' ' ' ILE . 25.9 mt -79.45 -23.97 42.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 73.24 109.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.96 136.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 62.13 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.69 -11.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 74.41 110.02 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -98.56 130.52 45.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.24 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 45.5 mt-30 -85.11 155.94 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.42 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.65 ' CG1' HD21 ' A' ' 17' ' ' LEU . 18.1 m -95.52 143.13 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 65.12 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 28.5 p30 -90.85 18.61 6.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 62.1 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -168.08 149.79 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 71.22 110.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.901 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -79.31 96.41 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 45.1 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ILE . 60.8 t -83.38 120.65 75.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 64.25 109.287 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.93 141.62 27.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 71.2 111.023 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -47.53 121.07 3.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.5 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.2 -7.83 48.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.423 1.077 . . . . 64.51 110.993 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.443 HG21 ' HD2' ' A' ' 50' ' ' PRO . 31.2 m -86.85 119.43 27.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 73.21 110.449 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.631 ' OG1' HG21 ' A' ' 27' ' ' VAL . 2.6 m -51.41 140.42 17.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 63.01 110.413 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.691 HD23 HD13 ' A' ' 40' ' ' LEU . 6.5 tp -87.55 129.69 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.54 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.866 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -105.98 161.07 23.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 61.43 110.985 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.01 -28.56 9.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 72.2 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -92.23 10.43 29.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 74.02 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -115.31 19.66 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.12 111.029 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.24 138.84 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 72.41 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 12.1 mtmt -85.8 146.17 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.24 109.274 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.45 14.29 26.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.57 1.169 . . . . 61.44 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.7 t80 -78.19 172.6 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 72.4 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.638 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.59 149.91 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.52 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.48 5.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 74.33 111.024 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.43 109.322 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.447 0.165 . . . . 73.43 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -124.11 88.61 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 73.01 109.309 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.423 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.53 133.51 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.25 110.272 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.47 136.97 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 65.25 110.32 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -124.62 143.22 50.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.675 HG11 HD23 ' A' ' 55' ' ' LEU . 71.0 t -54.6 135.89 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.03 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 4' ' ' SER . 71.0 t -136.21 132.84 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 64.33 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -62.82 100.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.23 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.86 -13.02 41.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.11 109.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 8' ' ' ALA . 22.4 m -154.1 167.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 73.15 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.82 92.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.02 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.609 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -83.22 114.09 50.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.11 109.337 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.829 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.06 173.16 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 63.53 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 tt -68.49 155.35 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 61.01 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 40.81 50.39 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 63.1 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.829 HG21 ' HD2' ' A' ' 12' ' ' PRO . 65.0 m -118.08 116.0 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 72.14 110.381 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.9 125.18 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 75.4 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' CD2' HG21 ' A' ' 11' ' ' ILE . 69.1 mt -78.99 141.61 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 64.23 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.512 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -126.17 171.66 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 61.22 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.03 -13.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.33 109.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.88 10.62 48.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.445 1.09 . . . . 60.22 111.019 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -115.28 -32.72 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.737 . . . . 71.51 110.985 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.512 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -98.2 170.61 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 73.04 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 3.0 t -160.34 169.06 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 54.41 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.494 ' CG2' HD12 ' A' ' 37' ' ' ILE . 70.9 p -113.68 127.63 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.1 110.377 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 145.56 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 62.24 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -76.08 80.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 65.41 109.328 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.609 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.3 159.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 72.34 109.329 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.58 135.97 28.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 62.1 109.977 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.97 153.67 99.29 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.042 -2.483 . . . . 71.13 111.034 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p -67.83 118.73 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.23 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -95.85 -152.19 28.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 71.11 110.956 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.889 HD11 ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.13 142.32 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 75.32 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 149.12 36.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 71.55 110.981 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -61.51 -15.14 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 64.23 109.255 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.7 -0.72 35.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.03 -1.17 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 74.34 109.298 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -53.48 -48.57 92.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 75.23 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.93 -7.92 19.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 72.05 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 16.1 mtp-105 -97.52 -18.39 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 51.52 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.858 HD13 HD23 ' A' ' 55' ' ' LEU . 20.8 mt -85.55 -24.48 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.23 109.305 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.2 mt -56.07 136.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 72.51 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.47 -11.09 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 54.42 109.995 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.84 128.59 45.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 72.21 111.01 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -87.98 152.89 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 54.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.4 m -85.48 154.98 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 64.33 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.0 p30 -105.78 30.99 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 74.03 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 35.7 tt0 -177.66 157.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 52.13 110.324 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 12' ' ' PRO . 2.9 t -84.33 102.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.12 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG22 ' HB ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -99.04 121.79 54.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 60.1 109.29 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.46 21.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 74.22 110.979 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.3 ttp -39.63 122.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 73.11 110.982 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.21 -12.46 48.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 63.45 110.994 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -76.25 114.45 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 71.34 110.378 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.609 ' OG1' HG21 ' A' ' 27' ' ' VAL . 4.1 m -49.56 127.61 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 75.41 110.391 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.858 HD23 HD13 ' A' ' 40' ' ' LEU . 6.7 tp -72.5 130.6 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 62.43 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.889 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.7 mmt -107.38 161.11 24.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 71.21 111.005 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.581 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 62.43 111.011 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.37 10.18 40.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 60.43 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 mtm -112.42 10.11 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 75.22 110.986 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.43 138.12 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 75.22 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 53.6 mttt -86.21 150.37 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 75.21 109.305 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 73.52 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 10.0 t80 -83.12 173.2 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 74.23 110.98 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.16 151.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 53.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.19 35.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 43.42 110.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 61.44 109.323 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.9 ptm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.464 0.173 . . . . 73.42 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -115.12 87.59 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 75.22 109.316 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.427 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -99.35 133.36 43.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 75.44 110.287 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -68.56 131.67 45.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 71.14 110.292 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -120.55 144.37 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 35.33 110.023 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.9 HG22 HG13 ' A' ' 37' ' ' ILE . 70.3 t -54.6 135.24 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.33 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' HG22 ' A' ' 23' ' ' THR . 53.4 t -139.85 122.99 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 72.11 109.321 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.745 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -50.19 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 51.3 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.808 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.25 -13.59 39.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 71.24 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.476 HG13 ' C ' ' A' ' 8' ' ' ALA . 19.9 m -155.32 172.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 72.45 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.58 105.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 72.32 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.745 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.75 107.98 51.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 61.43 109.296 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.904 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.98 173.2 14.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 74.14 111.0 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.4 tt -68.04 156.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 74.32 109.275 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 40.85 49.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.13 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.904 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.1 m -117.29 119.82 36.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 63.53 110.385 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 125.98 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 73.21 109.346 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 40' ' ' LEU . 75.2 mt -78.08 144.43 36.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 60.11 109.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' SD ' ' A' ' 22' ' ' MET . 1.6 p -144.89 152.4 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 74.34 110.425 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.99 -30.12 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 44.11 109.295 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.96 11.26 57.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 75.41 110.983 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.2 mtm -120.94 -37.39 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 0.73 . . . . 64.35 111.038 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' ' O ' ' A' ' 18' ' ' THR . 2.8 mpp? -97.56 178.42 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 72.34 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 6' ' ' VAL . 11.0 t -167.72 169.58 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 74.33 110.391 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.7 ' CG2' HD12 ' A' ' 37' ' ' ILE . 69.8 p -110.26 126.35 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 71.41 110.381 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.41 144.22 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 74.2 110.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.7 81.94 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 63.43 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -107.48 161.79 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 74.34 109.331 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.8 t -130.49 135.96 28.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 72.33 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.22 99.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.009 -2.496 . . . . 72.34 111.048 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 p -67.8 118.81 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 70.13 110.374 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.42 -149.03 25.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 61.11 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 56' ' ' MET . 59.0 mt -40.49 142.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 75.41 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.45 38.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 62.22 111.031 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.64 -12.99 38.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 41.42 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.37 -10.95 59.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 70.21 110.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.3 t70 -100.11 -7.34 25.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.02 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.9 HG13 HG22 ' A' ' 5' ' ' VAL . 1.6 mt -51.62 -48.8 85.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.32 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.03 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 51.41 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -97.57 -21.12 17.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.44 110.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HG21 ' A' ' 32' ' ' ILE . 12.2 mt -82.38 -24.98 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.21 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -53.64 135.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.24 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -11.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 50.52 110.013 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.9 mtm -99.7 130.64 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 63.52 110.981 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -87.59 151.86 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.4 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -85.05 159.63 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 71.53 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 23.0 p30 -109.85 30.51 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 70.24 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HA ' HD12 ' A' ' 13' ' ' ILE . 30.5 tt0 -176.98 156.02 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 52.14 110.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 48' ' ' VAL . 2.7 t -76.76 96.64 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 72.45 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.3 t -94.27 114.65 63.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 40.02 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.97 157.17 43.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 75.22 111.028 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.5 120.05 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.01 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.97 -15.37 40.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 61.31 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 21.2 m -75.71 115.44 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 52.44 110.41 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.615 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.3 m -49.85 138.81 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 74.41 110.438 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.787 HD23 HD13 ' A' ' 40' ' ' LEU . 6.4 tp -85.3 130.71 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.34 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.914 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.6 mmt -108.27 160.89 25.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 50.42 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.582 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.99 -22.76 14.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 73.22 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.39 10.63 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 75.13 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mtm -115.82 12.07 15.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 64.04 110.971 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.452 HG21 HD22 ' A' ' 40' ' ' LEU . 57.9 t -131.01 139.17 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 73.33 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 16.6 mtmt -87.14 150.43 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 74.44 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.6 18.78 8.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 73.43 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 22.2 t80 -81.55 173.38 12.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 74.22 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.11 147.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 62.43 109.32 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -175.82 2.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 72.32 111.002 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.21 109.301 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.486 0.184 . . . . 54.34 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -131.2 88.87 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 64.33 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.96 133.37 46.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 65.13 110.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.09 131.36 44.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 72.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.497 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.01 143.27 46.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.34 110.039 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.771 HG11 HD12 ' A' ' 55' ' ' LEU . 71.3 t -54.61 135.05 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 70.35 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 4' ' ' SER . 58.7 t -138.13 118.04 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 55.12 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.691 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.76 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 61.32 109.28 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.767 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -68.82 -8.64 45.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.13 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.5 m -157.77 171.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 71.32 109.249 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.1 tp -63.91 105.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 43.23 109.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.691 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.98 107.46 52.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 70.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.9 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 71.41 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 47' ' ' GLN . 6.0 tt -67.27 155.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.51 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 13.0 m-20 41.76 51.15 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 61.01 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.9 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -119.99 117.26 27.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 72.3 110.365 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.67 126.68 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 54.44 109.293 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.562 ' CD2' HG21 ' A' ' 11' ' ' ILE . 82.9 mt -84.03 139.52 32.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 74.23 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' CE ' ' A' ' 22' ' ' MET . 19.5 p -126.26 173.08 9.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 61.24 110.385 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.35 -16.09 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.25 109.273 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.54 10.64 57.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 52.05 111.01 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -115.25 -28.96 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 73.35 110.983 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 18' ' ' THR . 54.5 mtm -101.92 176.59 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.34 110.996 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.767 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -167.66 170.39 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 74.42 110.377 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -110.33 135.43 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 55.3 110.403 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.78 145.16 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 65.11 110.271 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.96 81.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 70.25 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.713 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.3 158.5 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 75.11 109.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.59 136.15 28.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 33.34 109.996 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 153.76 99.31 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.993 -2.503 . . . . 52.3 111.022 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -66.62 118.11 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 55.13 110.395 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.527 ' HA2' ' HE2' ' A' ' 56' ' ' MET . . . -96.04 -149.91 26.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 63.24 111.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.912 HD11 ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.7 142.33 0.81 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 70.11 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 149.79 36.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 74.05 110.967 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.8 -13.29 42.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 63.4 109.31 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -80.62 -11.31 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.52 110.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.04 -3.2 38.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 64.43 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.645 HG13 HG22 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -52.86 -49.07 88.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 55.51 109.303 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.61 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 70.11 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.9 mtp-105 -97.42 -16.83 20.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 74.34 110.363 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.777 HD11 HG21 ' A' ' 32' ' ' ILE . 27.5 mt -87.65 -23.69 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 74.25 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -55.87 135.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.83 -11.04 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 75.31 110.027 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -100.68 131.07 46.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 75.32 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -91.21 147.47 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 74.14 110.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.8 m -76.09 151.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 74.35 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.645 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.4 OUTLIER -102.63 30.89 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 71.11 109.295 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 33.8 tt0 -178.62 159.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 62.22 110.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.63 107.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 61.34 109.312 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.13 115.66 54.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 60.11 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 54.21 110.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.525 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 29.9 ttm -64.22 124.03 20.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.52 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.45 -16.08 52.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 62.33 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.439 ' HB ' HG23 ' A' ' 49' ' ' VAL . 18.5 m -73.68 114.19 11.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 63.1 110.364 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.713 ' OG1' HG21 ' A' ' 27' ' ' VAL . 7.0 m -49.51 135.03 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 75.41 110.427 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.771 HD12 HG11 ' A' ' 5' ' ' VAL . 4.7 mt -80.92 140.56 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.55 109.332 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.912 ' O ' HD11 ' A' ' 32' ' ' ILE . 4.0 mmt -118.05 159.91 41.13 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 50.24 110.993 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.563 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -19.89 17.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.763 . . . . 73.55 111.034 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.06 7.0 44.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 62.24 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.645 ' HA ' HD22 ' A' ' 46' ' ' ASN . 8.5 mtm -115.22 20.26 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 60.12 111.037 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 56.6 t -135.28 140.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 72.22 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 26.8 mtmt -87.05 150.78 23.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 51.02 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.24 21.79 3.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.474 1.109 . . . . 64.34 111.009 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 24.1 t80 -83.21 172.93 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 72.12 110.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.95 148.84 0.16 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 44.53 109.361 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.64 41.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 71.41 110.972 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 52.32 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.7 ttp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.482 0.182 . . . . 70.11 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -111.68 93.27 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 71.41 109.284 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -109.43 132.97 53.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 53.24 110.312 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.31 134.11 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.54 110.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -122.24 145.52 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 72.22 109.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.864 HG22 HG13 ' A' ' 37' ' ' ILE . 69.3 t -54.5 134.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.42 109.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 4' ' ' SER . 59.7 t -137.27 124.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 64.42 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.75 100.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.13 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.737 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -64.27 -12.68 43.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 71.53 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 8' ' ' ALA . 30.1 m -155.4 168.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 72.43 109.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 50' ' ' PRO . 3.9 tp -63.58 99.96 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 53.54 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.644 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.54 112.07 53.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 75.05 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.745 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.441 1.759 . . . . 75.03 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.8 tt -70.9 151.65 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 43.21 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 46.92 49.27 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.42 109.264 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.745 HG21 ' HD2' ' A' ' 12' ' ' PRO . 51.2 m -121.48 120.72 35.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 45.31 110.412 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.2 40.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 45.12 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 11' ' ' ILE . 72.9 mt -86.22 141.37 29.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.11 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.53 ' O ' ' HE2' ' A' ' 22' ' ' MET . 41.1 p -124.72 176.62 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.4 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -81.96 -14.37 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 75.23 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.22 10.9 51.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 42.54 111.044 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.542 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -113.12 -33.59 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 71.43 110.979 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.53 ' HE2' ' O ' ' A' ' 18' ' ' THR . 53.1 mtm -98.1 175.59 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 74.42 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.737 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -162.72 171.89 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 75.54 110.396 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.439 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 58.9 p -111.83 129.62 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.4 110.384 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -161.21 119.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 73.42 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 26' ' ' VAL . 2.3 p -66.02 84.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 72.12 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 25' ' ' ARG . 4.5 m -106.18 167.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.14 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -128.62 133.69 25.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 73.02 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.03 153.5 99.16 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.967 -2.514 . . . . 50.12 111.007 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 p -69.98 123.0 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 62.22 110.415 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.72 -149.95 23.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 42.52 110.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.73 HG21 HD11 ' A' ' 40' ' ' LEU . 83.3 mt -40.47 142.55 0.75 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 61.42 109.361 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 152.54 41.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 73.35 111.016 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.64 -13.45 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 53.2 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -82.68 -12.77 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.3 110.271 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.33 -6.74 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 73.11 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.864 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -53.3 -48.52 92.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 74.55 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -7.45 19.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 64.45 110.976 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -97.42 -19.75 18.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.51 110.316 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 60' ' ' VAL . 23.0 mt -84.88 -23.76 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.53 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.56 136.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 61.23 109.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.65 -11.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 75.33 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.2 mtm -100.88 133.55 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 73.42 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -91.88 148.84 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.41 110.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG1' HD21 ' A' ' 17' ' ' LEU . 30.9 m -81.01 154.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 61.33 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.3 p30 -105.66 32.29 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 73.24 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.952 ' HA ' HD12 ' A' ' 13' ' ' ILE . 31.0 tt0 -178.15 156.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.42 110.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' HG12 ' A' ' 48' ' ' VAL . 2.9 t -74.39 96.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 64.21 109.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' ILE . 75.6 t -94.09 115.35 65.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 72.03 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.56 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 74.12 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.414 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.4 ttm -69.01 117.22 10.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 50.05 110.97 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.43 -13.26 33.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.473 1.108 . . . . 55.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -74.77 117.84 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 71.12 110.367 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.46 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.2 m -49.64 136.07 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 55.4 110.425 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.707 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -78.81 130.63 35.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.31 109.292 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.616 ' O ' HD11 ' A' ' 32' ' ' ILE . 12.3 mmt -110.2 156.77 39.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 54.42 111.019 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.96 -20.62 16.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 64.23 111.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.12 12.0 37.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 74.23 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 mtm -114.55 7.0 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.44 110.998 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.738 HG21 HD22 ' A' ' 40' ' ' LEU . 45.0 t -127.52 135.19 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 62.33 109.268 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 2.9 mtmp? -81.2 152.57 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 72.11 109.284 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.26 3.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 30.1 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.9 t80 -83.62 173.06 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 72.3 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.597 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.47 151.03 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 65.23 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 71.11 110.989 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 44.11 109.271 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.354 -0.239 . . . . 75.45 110.354 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.18 135.62 57.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 74.12 110.361 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -121.65 144.3 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 42.44 109.966 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.726 HG11 HD23 ' A' ' 55' ' ' LEU . 79.0 t -54.62 134.86 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 71.22 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 4' ' ' SER . 54.0 t -138.51 123.88 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 72.41 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.735 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -50.85 99.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 42.21 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.888 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.3 -13.67 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 45.52 109.273 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.427 HG13 ' C ' ' A' ' 8' ' ' ALA . 26.9 m -154.03 171.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 75.14 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.95 105.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 73.25 109.337 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.735 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.6 108.41 53.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 72.2 109.268 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.861 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.98 173.05 15.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.435 1.755 . . . . 74.52 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 47' ' ' GLN . 11.7 tt -67.58 155.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 72.45 109.328 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.46 52.5 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 72.34 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.861 HG21 ' HD2' ' A' ' 12' ' ' PRO . 34.0 m -120.47 119.33 32.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 74.53 110.399 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.17 128.97 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 61.11 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 11' ' ' ILE . 82.9 mt -85.26 141.04 30.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 63.24 109.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.519 ' O ' ' HE2' ' A' ' 22' ' ' MET . 31.3 p -129.2 171.98 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 73.53 110.364 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.59 -14.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 52.54 109.284 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.79 10.75 55.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 75.31 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.52 -33.19 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 64.54 111.007 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.519 ' HE2' ' O ' ' A' ' 18' ' ' THR . 48.1 mtm -97.6 176.85 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 65.4 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.888 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -166.28 171.26 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 51.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -112.56 131.68 55.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 64.01 110.393 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.72 144.38 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 61.32 110.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -78.79 82.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 70.44 109.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.87 158.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 71.51 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -128.05 136.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.11 109.997 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.08 153.36 99.01 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 65.45 110.957 0.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 p -66.02 118.45 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.3 110.397 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.55 -149.98 26.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 74.24 110.979 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.909 HD11 ' O ' ' A' ' 56' ' ' MET . 55.3 mt -40.79 142.46 0.81 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 74.01 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 150.88 38.68 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 74.12 111.008 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.19 42.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 51.41 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.31 -10.78 59.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 71.44 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -3.81 37.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.42 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.641 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.93 -48.87 90.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 75.42 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -8.45 20.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 75.43 111.01 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.0 mtp-105 -97.62 -16.1 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 65.44 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 55' ' ' LEU . 24.4 mt -88.52 -23.73 23.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 72.11 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -56.0 135.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 61.03 109.245 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.71 -11.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 74.25 109.976 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.92 132.98 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 60.33 111.014 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.72 154.51 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.4 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.9 m -87.21 156.45 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 63.12 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.0 p30 -107.28 32.0 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.25 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.533 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.3 tt0 -178.3 155.82 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 71.41 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.5 t -76.53 96.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 44.12 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' ILE . 78.0 t -94.59 115.68 65.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.33 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.71 40.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 73.21 110.99 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.1 ttp -62.2 118.83 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.52 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.44 -14.08 36.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 75.44 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -76.84 117.26 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 74.33 110.401 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.696 ' OG1' HG21 ' A' ' 27' ' ' VAL . 6.4 m -49.87 138.15 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 72.42 110.333 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 40' ' ' LEU . 5.8 tp -85.43 129.96 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 75.31 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.909 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.2 mmt -108.05 160.88 25.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 75.23 110.981 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.35 110.979 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.07 10.06 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 71.12 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -115.04 14.24 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 54.14 110.954 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.412 HG21 HD22 ' A' ' 40' ' ' LEU . 56.1 t -133.36 139.47 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 74.42 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 55.5 mttt -87.42 150.38 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 75.14 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.74 18.83 8.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 62.11 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -84.41 173.17 11.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 74.23 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.7 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 53.33 109.293 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.544 1.812 . . . . 55.34 110.966 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.422 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.321 -0.251 . . . . 72.3 110.321 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.11 136.93 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.01 110.285 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -121.9 143.01 49.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 61.3 109.998 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.765 ' CG1' HD12 ' A' ' 55' ' ' LEU . 71.0 t -56.16 134.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.22 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 4' ' ' SER . 55.6 t -137.06 127.62 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 54.12 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -53.29 98.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 75.21 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.914 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.21 -13.6 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 43.1 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.449 HG13 ' C ' ' A' ' 8' ' ' ALA . 25.3 m -153.93 172.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.32 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.39 105.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.11 109.25 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.754 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.11 108.07 53.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.52 109.287 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.824 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 73.4 110.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 tt -68.18 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 65.21 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.0 p30 40.45 51.19 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.31 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.824 HG21 ' HD2' ' A' ' 12' ' ' PRO . 42.3 m -120.27 120.29 35.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 74.35 110.385 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 131.22 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 44.42 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 11' ' ' ILE . 79.1 mt -88.21 139.18 30.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 74.24 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' CE ' ' A' ' 22' ' ' MET . 26.1 p -124.72 173.33 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.2 110.409 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.37 -13.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.05 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.68 10.79 49.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 74.53 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -114.65 -31.48 6.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 72.24 110.996 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 18' ' ' THR . 52.4 mtm -97.58 176.37 5.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 74.41 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.914 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -165.48 169.74 15.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 73.13 110.415 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 69.6 p -112.9 128.61 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 64.3 110.393 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 143.03 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.21 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 82.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 63.42 109.284 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.816 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.86 158.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 71.4 109.345 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.8 t -128.0 136.12 28.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 71.41 109.984 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.014 -2.494 . . . . 73.05 111.007 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 p -64.19 118.78 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 54.35 110.421 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.33 25.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 74.03 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.818 HD11 ' O ' ' A' ' 56' ' ' MET . 72.8 mt -42.0 142.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 75.33 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 149.16 36.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.572 1.828 . . . . 45.12 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.76 -13.14 41.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 72.42 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.64 -10.75 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 75.03 110.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -98.28 -4.69 34.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 72.42 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.739 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.29 -49.15 86.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 70.25 109.309 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -8.39 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 50.24 110.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 9.7 mtp-105 -97.4 -22.96 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 64.12 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.797 HD11 HG21 ' A' ' 32' ' ' ILE . 30.4 mt -80.57 -22.34 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 72.33 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.69 135.57 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 73.4 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.74 -11.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 75.32 110.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.406 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.0 mtm -99.93 134.19 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.34 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -93.3 151.93 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.43 110.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG13 HD21 ' A' ' 17' ' ' LEU . 18.7 m -84.67 151.59 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 75.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.9 p30 -102.39 33.78 3.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.23 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.5 tt0 -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 74.25 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.1 t -76.02 96.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 65.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' ILE . 96.2 t -95.26 113.22 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 70.15 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.0 161.39 38.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 72.31 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.0 ttp -63.34 120.14 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 74.24 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.92 -10.22 44.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 71.21 111.003 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 50' ' ' PRO . 17.7 m -80.58 115.73 20.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 41.53 110.415 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.816 ' OG1' HG21 ' A' ' 27' ' ' VAL . 21.2 m -49.73 137.13 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.33 110.415 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.765 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.7 mt -84.04 140.32 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 63.14 109.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.818 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -117.39 159.73 40.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 53.44 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -18.81 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 64.52 111.033 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -102.18 9.94 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.12 109.288 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.2 mtm -111.63 9.26 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.23 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 40' ' ' LEU . 21.5 t -131.28 139.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 72.25 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 9.7 mttm -87.92 150.17 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 75.32 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.1 16.35 18.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 74.13 111.034 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -82.92 173.07 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 74.13 111.011 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.33 150.5 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 70.11 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 63.01 110.978 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 75.34 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.05 134.24 56.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.12 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -120.37 143.3 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 73.43 109.997 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.713 HG22 HG13 ' A' ' 37' ' ' ILE . 66.1 t -54.63 134.93 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.45 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 4' ' ' SER . 54.7 t -137.16 126.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.1 109.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.666 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -52.68 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 73.5 109.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.735 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.41 -13.44 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 74.44 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 8' ' ' ALA . 24.1 m -153.35 169.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 71.22 109.362 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.2 tp -66.13 92.62 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.21 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.666 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -83.48 113.95 50.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.34 109.333 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.67 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.94 172.65 15.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 61.2 111.0 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.3 tt -71.81 150.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 72.21 109.31 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.4 ' ND2' HG12 ' A' ' 13' ' ' ILE . 56.0 m-80 47.3 50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 61.12 109.356 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.67 HG21 ' HD2' ' A' ' 12' ' ' PRO . 25.4 m -124.45 119.37 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 71.53 110.425 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.18 133.93 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.628 ' CD2' HG21 ' A' ' 11' ' ' ILE . 63.3 mt -87.07 143.69 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.33 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' HE2' ' A' ' 22' ' ' MET . 28.8 p -127.7 171.84 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.24 110.423 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -77.87 -13.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 65.43 109.324 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.41 10.81 50.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 71.42 111.03 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.8 mtm -115.69 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 72.44 110.994 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.52 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -97.4 176.89 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 71.41 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -166.1 170.83 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 74.14 110.398 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.486 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.6 p -113.54 128.81 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 75.35 110.402 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.33 144.23 18.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 71.34 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.38 81.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.24 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.63 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.4 m -106.52 159.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 54.2 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.19 135.96 28.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 51.51 110.004 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.01 153.39 99.12 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.997 -2.501 . . . . 63.12 110.975 0.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 p -66.88 118.94 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 73.23 110.415 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -97.11 -149.59 25.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 61.33 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.899 HD11 ' O ' ' A' ' 56' ' ' MET . 57.0 mt -40.48 142.46 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 72.33 109.269 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 151.21 39.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 75.4 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.82 -13.05 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.14 109.305 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.84 -10.69 59.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 72.11 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -97.6 -5.4 35.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 53.34 109.298 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.713 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.82 -49.07 85.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 72.51 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 71.33 110.932 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.1 mtp-105 -97.49 -19.86 18.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 65.04 110.289 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.808 HD13 HD23 ' A' ' 55' ' ' LEU . 18.5 mt -84.11 -22.6 31.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.23 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.97 135.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 71.23 109.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -10.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.1 109.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -100.03 131.1 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 61.04 110.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.03 157.21 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 54.04 110.356 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 17' ' ' LEU . 24.4 m -90.11 156.05 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 74.44 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.566 ' HA ' ' HZ3' ' A' ' 61' ' ' LYS . 21.8 p30 -107.76 31.88 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.34 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.4 tt0 -178.64 156.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.44 110.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.7 t -77.71 102.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 52.43 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG13 ' CG2' ' A' ' 53' ' ' THR . 93.4 t -95.8 114.88 64.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.03 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 138.02 22.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 53.43 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.42 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -43.47 120.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 60.21 110.988 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.39 -6.19 45.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 62.33 111.026 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.467 HG21 ' HD2' ' A' ' 50' ' ' PRO . 7.4 m -83.48 118.03 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 72.44 110.411 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.63 ' OG1' HG21 ' A' ' 27' ' ' VAL . 5.6 m -49.72 136.47 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 64.42 110.414 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.808 HD23 HD13 ' A' ' 40' ' ' LEU . 6.5 tp -84.59 130.33 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 62.52 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.899 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.1 mmt -107.79 160.94 24.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 75.4 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.03 -22.36 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 63.42 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 7.69 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 60.4 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.7 mtm -113.18 18.15 18.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 73.11 110.953 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.26 135.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.21 109.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.566 ' HZ3' ' HA ' ' A' ' 46' ' ' ASN . 8.4 mtmm -85.73 148.89 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.11 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.11 15.63 22.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 54.21 110.994 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 17.1 t80 -82.8 172.9 12.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 74.43 111.006 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.73 150.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 52.31 109.268 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 72.25 111.019 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.428 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.287 -0.264 . . . . 54.1 110.287 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.19 140.56 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.22 110.278 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -126.7 142.85 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 53.32 110.01 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.867 HG22 HG13 ' A' ' 37' ' ' ILE . 70.3 t -54.66 133.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.51 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.829 ' O ' HG22 ' A' ' 23' ' ' THR . 56.1 t -137.69 118.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.25 109.254 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.674 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -44.01 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.54 109.262 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -65.35 -11.82 45.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 70.12 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.518 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 33.9 m -155.58 170.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 63.03 109.317 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 50' ' ' PRO . 5.2 tp -64.5 101.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 51.41 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.674 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -95.53 111.1 54.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 75.51 109.274 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.06 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 73.34 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.476 HG23 ' ND2' ' A' ' 14' ' ' ASN . 9.0 tt -68.93 154.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.476 ' ND2' HG23 ' A' ' 13' ' ' ILE . 9.8 p30 40.89 53.32 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 70.22 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.775 HG21 ' HD2' ' A' ' 12' ' ' PRO . 23.2 m -122.96 119.57 30.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 53.44 110.402 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.15 128.76 25.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 65.24 109.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.604 ' CD2' HG21 ' A' ' 11' ' ' ILE . 59.6 mt -84.55 143.68 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 62.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CE ' ' A' ' 22' ' ' MET . 39.8 p -127.14 175.99 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.44 110.391 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -81.03 -15.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.55 109.322 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.86 10.68 55.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 43.14 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.443 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -113.99 -31.78 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 62.43 111.001 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 18' ' ' THR . 57.3 mtm -98.24 173.05 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 63.42 110.977 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 6' ' ' VAL . 5.2 t -163.35 169.45 19.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 74.43 110.4 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.54 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 67.4 p -112.05 128.45 56.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.14 110.377 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.2 142.46 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 74.45 110.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 t -75.56 82.55 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 62.11 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.668 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.32 160.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 74.4 109.316 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -130.62 136.3 28.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 51.42 109.986 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.07 153.45 99.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.011 -2.495 . . . . 61.13 110.989 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 p -64.59 116.89 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.41 110.417 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.67 -148.92 24.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 62.1 110.979 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 40' ' ' LEU . 82.5 mt -40.57 142.41 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 72.41 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 151.12 39.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 43.21 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.54 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.54 -13.9 45.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.41 109.334 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.87 -12.97 58.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.23 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.37 -5.58 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 73.53 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.867 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -53.66 -48.54 92.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 63.01 109.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -7.48 19.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 54.21 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.41 -19.72 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 71.32 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 32' ' ' ILE . 24.3 mt -84.88 -23.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 61.54 109.244 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -55.37 136.28 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 42.03 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.36 -11.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 44.32 110.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.8 mtm -100.31 133.24 45.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 75.22 111.019 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -91.17 149.46 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 60.44 110.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.6 m -82.36 156.98 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 62.41 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.1 p30 -107.64 30.98 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 73.35 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.6 tt0 -177.06 156.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.32 110.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -74.78 96.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.01 109.326 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 11' ' ' ILE . 85.1 t -94.2 114.16 62.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 70.51 109.284 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.5 Cg_endo -74.93 163.35 35.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 55.34 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 33.0 ttm -66.18 118.55 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 75.32 111.024 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.79 -14.64 34.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 65.04 111.02 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -74.23 118.76 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 74.11 110.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.668 ' OG1' HG21 ' A' ' 27' ' ' VAL . 22.9 m -49.77 139.81 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.4 110.396 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.24 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 72.2 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.688 ' O ' HD11 ' A' ' 32' ' ' ILE . 15.5 mmt -110.91 157.34 38.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 65.43 110.957 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -23.56 13.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 71.23 111.024 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 14.52 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.3 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -116.34 7.0 13.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 71.22 110.986 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 40' ' ' LEU . 39.8 t -128.01 137.8 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 63.04 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 15.3 mtmt -85.0 149.17 25.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 73.11 109.268 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.73 17.35 14.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 72.52 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.4 t80 -82.81 173.08 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 74.21 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.599 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.74 151.21 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.42 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 65.55 111.003 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 70.11 110.271 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.0 139.1 39.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 74.23 110.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -124.77 143.9 50.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.12 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD23 ' A' ' 55' ' ' LEU . 59.4 t -54.72 136.38 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 55.24 109.329 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 4' ' ' SER . 75.5 t -139.22 127.29 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 62.22 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.683 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -53.54 99.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 74.5 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.23 -13.53 38.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 33.33 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.49 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 33.5 m -156.56 173.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.03 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.36 104.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 71.24 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.683 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -99.88 108.85 53.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 63.11 109.285 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.849 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.95 172.3 16.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 53.43 111.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.417 HG23 ' ND2' ' A' ' 14' ' ' ASN . 17.6 tt -67.43 155.11 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.53 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' ND2' HG23 ' A' ' 13' ' ' ILE . 11.2 p30 41.06 52.48 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 64.13 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.849 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.4 m -120.22 120.21 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 70.24 110.408 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.15 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.24 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 83.1 mt -85.22 140.31 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 70.55 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.471 ' O ' ' HE2' ' A' ' 22' ' ' MET . 13.1 p -127.73 172.19 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 74.12 110.368 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.14 -13.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 73.33 109.282 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.15 10.77 51.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 62.4 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -115.55 -33.71 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.764 . . . . 65.15 110.987 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.471 ' HE2' ' O ' ' A' ' 18' ' ' THR . 48.7 mtm -97.79 172.89 7.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 74.14 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.819 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -163.24 170.06 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 70.44 110.419 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.568 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 76.9 p -111.42 136.17 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.02 110.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 143.31 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.04 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -77.83 81.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 32.4 109.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.43 158.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 70.35 109.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -127.38 135.9 28.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 75.04 109.989 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.977 -2.51 . . . . 72.21 111.023 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 p -67.4 121.17 15.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 72.42 110.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -98.0 -150.14 25.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 71.3 110.99 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.918 HD11 ' O ' ' A' ' 56' ' ' MET . 40.2 mt -41.92 142.35 1.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 72.23 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.694 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.78 34.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 73.43 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.69 -16.95 59.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.41 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.96 -3.18 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 63.13 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.53 -1.79 16.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.02 109.302 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.592 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -52.38 -48.23 90.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 73.1 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 73.53 111.027 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -97.56 -26.03 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.31 110.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD13 HD23 ' A' ' 55' ' ' LEU . 25.1 mt -77.5 -25.46 50.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 72.5 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.52 136.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 61.03 109.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.83 -11.18 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 73.53 109.984 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.91 129.88 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.44 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.91 156.81 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 74.34 110.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.8 m -89.95 153.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 73.44 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.1 p30 -105.92 32.29 4.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 32.32 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.8 tt0 -178.61 156.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 72.34 110.253 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -76.22 97.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 60.33 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 84.3 t -94.94 111.52 54.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 74.01 109.281 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 53.31 111.024 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 11.5 ttm -53.95 121.43 8.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 61.42 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -15.52 48.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 51.44 111.033 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.451 HG21 ' HD2' ' A' ' 50' ' ' PRO . 38.6 m -73.93 114.2 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.777 . . . . 54.11 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.9 m -49.96 133.21 22.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.44 110.442 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 40' ' ' LEU . 6.6 tp -81.78 130.2 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 64.23 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.918 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.1 mmt -108.04 161.08 24.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 75.23 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -20.57 16.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 65.22 110.991 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.25 7.25 44.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 64.32 109.296 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.1 mtm -113.0 23.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 74.33 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 98.5 t -140.7 143.52 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 73.23 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.1 mttt -89.81 144.22 26.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 55.34 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.23 28.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 63.33 110.995 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 21.7 t80 -77.07 172.09 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 72.14 111.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.641 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.28 150.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 62.44 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 72.33 110.978 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.427 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.288 -0.264 . . . . 71.01 110.288 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.67 133.68 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 55.42 110.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.88 144.69 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.14 109.969 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 55' ' ' LEU . 53.5 t -54.8 136.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 71.53 109.234 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 4' ' ' SER . 59.7 t -140.74 124.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 64.22 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.708 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.16 98.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 43.23 109.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.903 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.16 -13.64 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 71.03 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 ' C ' ' A' ' 8' ' ' ALA . 36.0 m -154.82 171.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 63.41 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.61 105.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 61.34 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.708 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -101.16 107.88 52.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 73.25 109.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.838 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 54.44 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.5 tt -69.43 151.62 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 70.31 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.497 HD22 ' NZ ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 47.9 48.02 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.43 109.314 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.838 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.4 m -119.27 118.56 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 74.33 110.358 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.58 130.28 31.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.11 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 ' CG1' ' A' ' 45' ' ' VAL . 80.5 mt -83.5 141.37 31.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 55.12 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' HE2' ' A' ' 22' ' ' MET . 11.5 p -129.4 171.71 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 65.01 110.368 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.25 -15.17 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 74.14 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.49 10.7 56.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.091 . . . . 54.2 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.34 -33.33 4.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 64.22 111.001 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.444 ' HE2' ' O ' ' A' ' 18' ' ' THR . 56.0 mtm -97.33 175.01 6.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.4 110.972 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.903 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -165.41 169.66 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 73.11 110.403 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.595 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.9 p -111.72 131.15 55.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 71.54 110.38 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.14 147.39 17.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 64.42 110.269 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 t -81.07 81.09 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 75.31 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.656 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.46 158.62 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 73.14 109.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.0 t -128.11 136.06 28.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.13 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.95 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.026 -2.489 . . . . 62.31 111.038 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 p -66.71 119.19 11.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.34 110.397 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' A' ' 56' ' ' MET . . . -96.13 -149.37 25.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 54.32 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.902 HD11 ' O ' ' A' ' 56' ' ' MET . 41.5 mt -42.01 142.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 63.1 109.259 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.695 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 148.57 35.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 71.04 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.35 -15.29 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 74.33 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.33 -6.75 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 75.51 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -106.22 -2.65 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 73.4 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.626 HG13 HG22 ' A' ' 5' ' ' VAL . 1.3 mt -52.49 -48.07 91.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 74.32 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.6 Cg_endo -74.95 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.803 . . . . 73.04 111.053 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 mtp-105 -97.46 -27.67 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 75.35 110.299 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.792 HD13 HD23 ' A' ' 55' ' ' LEU . 23.8 mt -75.84 -24.68 55.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.42 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.26 136.18 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 64.21 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.75 -11.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 51.11 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -100.61 128.75 46.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.24 111.053 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' THR . 14.3 mt-30 -86.43 158.14 19.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 61.14 110.292 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG1' HD21 ' A' ' 17' ' ' LEU . 19.6 m -89.69 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.41 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -105.07 32.64 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 65.23 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.9 tt0 -178.55 156.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.31 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.0 t -75.52 97.05 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 44.22 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 94.9 t -96.04 112.63 60.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 70.54 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 158.11 42.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 53.32 110.989 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 ttp -59.62 119.23 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 74.1 111.033 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.8 -14.67 37.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 72.11 111.011 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.404 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 18.4 m -76.18 115.6 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 73.43 110.428 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.656 ' OG1' HG21 ' A' ' 27' ' ' VAL . 5.9 m -49.65 137.12 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.14 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 40' ' ' LEU . 6.4 tp -85.19 130.2 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 72.21 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.902 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -107.69 160.96 24.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 70.14 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.0 -20.82 16.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 60.24 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.49 5.83 46.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 74.21 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.408 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 11.4 mtm -112.34 24.18 12.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 65.24 110.958 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 93.8 t -140.41 143.45 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.14 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 10.9 mtmt -89.06 146.28 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.52 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.38 16.44 15.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.12 . . . . 73.32 110.989 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 26.2 t80 -77.86 172.71 13.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 71.42 111.035 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.639 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.57 149.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.44 109.324 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 75.33 110.999 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.278 -0.267 . . . . 72.13 110.278 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.97 133.32 48.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 72.12 110.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.78 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 40.15 109.968 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.709 HG11 HD23 ' A' ' 55' ' ' LEU . 74.9 t -54.64 134.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 70.12 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 23' ' ' THR . 54.1 t -138.42 127.21 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.32 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.76 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -54.06 100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 34.15 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.28 -13.58 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 109.313 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 8' ' ' ALA . 23.7 m -152.91 168.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 73.43 109.295 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.3 tp -63.97 94.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 71.2 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.76 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.61 113.74 52.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 73.45 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.96 173.1 15.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.519 1.799 . . . . 54.34 111.036 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.3 tt -72.61 152.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 65.21 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.405 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.6 m-80 46.74 48.37 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 72.31 109.293 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.668 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.5 m -121.66 121.25 36.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.24 110.406 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.19 136.16 43.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 72.11 109.328 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' CG1' ' A' ' 45' ' ' VAL . 81.2 mt -87.85 141.06 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 71.11 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.479 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.4 p -127.88 171.3 11.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.21 110.421 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -76.94 -14.67 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 73.14 109.324 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.18 10.72 55.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 64.33 111.024 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.445 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -115.95 -34.28 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 73.52 111.018 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.479 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.0 mtm -97.38 177.21 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 74.45 110.997 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -166.76 171.39 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.22 110.372 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.577 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.9 p -112.5 126.98 55.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.34 110.403 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.74 142.94 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 73.44 110.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -77.21 81.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 73.2 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.699 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.76 159.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 71.24 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.48 135.98 28.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 75.31 109.981 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -74.99 153.45 99.17 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.982 -2.507 . . . . 42.11 110.989 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 p -66.63 119.09 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 75.5 110.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.432 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.4 -149.9 26.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 33.13 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.904 HD11 ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.55 142.29 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 72.01 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.98 149.39 36.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 55.11 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.89 -15.54 59.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 65.54 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -78.58 -8.02 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 74.21 110.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -104.51 -1.77 26.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.21 109.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.648 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -52.45 -48.0 91.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 73.15 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.779 . . . . 74.31 110.974 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -97.51 -26.77 14.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 53.41 110.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.828 HD13 HD23 ' A' ' 55' ' ' LEU . 21.4 mt -76.85 -24.35 52.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 70.14 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.72 136.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 73.55 109.264 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.8 -11.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 71.22 109.99 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -98.86 128.57 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.23 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' THR . 19.1 mt-30 -86.03 157.42 20.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 73.24 110.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' CG1' HD21 ' A' ' 17' ' ' LEU . 24.5 m -92.14 151.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 52.41 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.5 ' HA ' ' HZ1' ' A' ' 61' ' ' LYS . 21.9 p30 -104.95 32.33 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.12 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.7 tt0 -178.57 156.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 73.31 110.28 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.433 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -77.81 103.54 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 71.33 109.34 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 53' ' ' THR . 93.0 t -97.25 114.09 64.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 60.3 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.459 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 141.01 26.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 71.11 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.421 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -45.68 119.69 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 73.33 111.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.76 -5.73 43.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.137 . . . . 72.22 111.003 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.459 HG21 ' HD2' ' A' ' 50' ' ' PRO . 14.4 m -83.64 116.94 22.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.74 . . . . 64.24 110.358 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.699 ' OG1' HG21 ' A' ' 27' ' ' VAL . 7.4 m -49.74 135.77 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 74.2 110.366 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 40' ' ' LEU . 6.6 tp -84.11 130.3 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 65.2 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.904 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.4 mmt -107.14 161.26 23.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 73.04 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.95 -20.6 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 63.43 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 7.08 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 63.42 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -111.71 23.89 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 64.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG12 ' HE3' ' A' ' 43' ' ' MET . 40.8 t -146.58 133.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.44 109.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HZ1' ' HA ' ' A' ' 46' ' ' ASN . 12.6 mttm -81.56 149.33 28.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.14 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.18 13.85 30.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 72.1 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.6 t80 -78.43 171.64 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 65.31 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.645 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.29 149.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 62.34 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 73.55 111.01 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.286 -0.264 . . . . 64.03 110.286 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -68.78 134.33 49.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 63.44 110.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -121.92 143.14 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.11 109.992 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.719 HG11 HD23 ' A' ' 55' ' ' LEU . 71.6 t -54.64 135.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 72.22 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 4' ' ' SER . 54.3 t -138.98 125.51 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 64.41 109.254 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.694 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.13 98.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.54 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.894 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.18 -13.58 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 72.34 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 35.1 m -155.47 173.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.24 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.31 104.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 72.21 109.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.694 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.29 108.56 53.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 63.12 109.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.867 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.95 172.7 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 71.24 111.025 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.37 155.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 74.1 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.2 p30 40.54 51.75 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 61.14 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.867 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.2 m -118.79 118.86 32.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.45 110.351 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.6 125.97 14.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.01 109.289 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 75.6 mt -82.8 139.81 33.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 63.52 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.51 ' O ' ' HE2' ' A' ' 22' ' ' MET . 12.9 p -127.81 171.42 11.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 72.41 110.417 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.63 -12.96 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 70.35 109.322 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.62 10.71 49.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 73.11 111.001 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -115.61 -31.97 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 45.03 111.014 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 18' ' ' THR . 47.7 mtm -98.75 175.28 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 71.24 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.894 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -164.19 170.46 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 62.23 110.428 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.56 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 74.3 p -113.52 128.18 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 44.55 110.37 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.65 143.06 19.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 60.24 110.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.11 81.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 62.3 109.303 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.4 m -106.94 160.86 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 72.33 109.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.46 135.87 28.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 74.12 110.063 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.4 99.15 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.02 -2.492 . . . . 71.24 111.013 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 p -66.97 118.98 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 71.15 110.437 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.06 25.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.132 . . . . 72.4 111.01 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.907 HD11 ' O ' ' A' ' 56' ' ' MET . 55.7 mt -41.58 142.46 1.02 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 73.2 109.329 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.02 150.58 38.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 74.43 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.56 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.69 -12.92 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 71.4 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -80.7 -11.45 59.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.23 110.273 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.1 t70 -96.65 -5.83 38.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 73.13 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.24 -49.3 82.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.52 109.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -9.57 20.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 75.41 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.5 mtp-105 -97.23 -16.06 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 71.44 110.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.776 HD13 HD23 ' A' ' 55' ' ' LEU . 22.9 mt -88.48 -22.8 23.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 60.32 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -57.0 135.94 20.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 70.41 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.62 -11.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 32.15 109.969 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.2 132.65 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 71.1 110.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -92.2 145.85 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 72.43 110.276 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.3 m -77.7 155.9 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.14 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.3 p30 -106.31 31.92 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.23 109.265 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.4 tt0 -178.55 155.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.05 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -75.55 96.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.31 109.306 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 81.7 t -94.43 113.49 61.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 75.24 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.01 158.52 42.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 74.33 111.0 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 32.3 ttm -60.02 121.3 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.41 111.009 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.07 -12.12 48.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 54.32 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.408 HG21 ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -78.71 116.06 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 63.4 110.363 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.494 HG23 ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.77 137.55 16.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 74.4 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.776 HD23 HD13 ' A' ' 40' ' ' LEU . 5.8 tp -84.62 129.99 34.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 64.31 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.907 ' O ' HD11 ' A' ' 32' ' ' ILE . 11.6 mmt -108.12 159.42 30.67 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 71.03 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.572 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.97 -21.46 15.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 44.14 111.002 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.67 9.28 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 73.34 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.407 ' HE2' ' CG ' ' A' ' 56' ' ' MET . 13.2 mtm -116.36 15.33 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 51.04 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 62.1 t -131.51 139.31 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 70.33 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 20.3 mtmt -86.92 150.46 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 74.22 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.27 19.54 5.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 64.04 110.99 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 23.0 t80 -83.92 172.99 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 75.25 111.036 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.7 148.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 70.23 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 71.1 111.03 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.298 -0.26 . . . . 62.41 110.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.79 130.69 47.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 72.43 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -119.23 143.97 47.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 70.24 110.012 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.892 HG22 HG13 ' A' ' 37' ' ' ILE . 72.3 t -54.6 134.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 61.4 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 27' ' ' VAL . 53.0 t -137.78 121.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.33 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -45.37 102.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.51 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.829 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -67.61 -10.41 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 44.42 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.6 m -157.75 169.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.5 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.0 tp -64.89 93.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 71.13 109.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.589 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -84.18 114.07 52.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 64.51 109.266 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.917 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 71.33 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 47' ' ' GLN . 6.7 tt -70.55 152.64 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 74.21 109.273 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 42.92 53.4 5.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.01 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.621 HG21 ' HD2' ' A' ' 12' ' ' PRO . 34.2 m -123.8 126.5 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 63.21 110.382 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.52 130.82 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 53.13 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 11' ' ' ILE . 64.8 mt -83.5 142.12 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 64.34 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.0 p -127.74 170.82 12.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 64.42 110.427 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.96 -13.55 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 73.33 109.304 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.82 52.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 44.23 111.062 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.581 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -115.57 -33.8 5.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 74.44 111.002 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.433 ' HE2' ' O ' ' A' ' 18' ' ' THR . 46.9 mtm -97.76 169.76 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 61.52 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.829 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -158.94 170.08 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.45 110.395 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.542 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 82.3 p -111.56 130.27 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.4 110.355 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.9 145.49 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.54 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.99 82.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.22 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.686 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.52 158.78 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 60.43 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.2 t -127.79 135.99 28.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.04 109.955 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.3 99.09 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.947 -2.522 . . . . 74.2 111.039 -0.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 p -65.82 117.77 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 52.11 110.395 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.08 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 71.01 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.78 HG21 HD11 ' A' ' 40' ' ' LEU . 93.3 mt -40.77 142.49 0.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 74.01 109.293 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 150.89 39.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 74.1 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.542 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.62 -13.36 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.23 109.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.9 -13.91 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 53.21 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.21 -6.09 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 64.24 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.892 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.8 -48.68 90.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.31 109.32 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 70.11 111.008 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mtp-105 -97.58 -17.34 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.25 110.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 32' ' ' ILE . 14.4 mt -87.73 -23.55 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.32 109.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -56.16 136.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 75.31 109.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.27 -10.95 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 55.1 110.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.38 131.81 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.25 111.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -86.54 149.9 24.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 73.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.2 m -89.71 145.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 43.23 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.4 p30 -92.28 25.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 71.44 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.645 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.2 tt0 -175.05 148.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 72.42 110.298 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.917 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.5 p -77.94 96.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 42.43 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' ILE . 59.8 t -83.71 121.08 76.1 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 72.35 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.32 26.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 74.41 110.951 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.409 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 45.0 ttp -47.59 119.83 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 74.1 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.03 -9.73 39.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 53.41 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.493 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 23.4 m -82.49 122.22 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 55.1 110.44 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.686 ' OG1' HG21 ' A' ' 27' ' ' VAL . 9.1 m -52.72 139.88 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 54.44 110.416 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.694 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -82.69 127.44 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 75.14 109.291 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.62 ' O ' HD11 ' A' ' 32' ' ' ILE . 18.8 mmt -107.5 157.38 35.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 74.22 111.015 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.6 Cg_endo -74.96 -26.99 10.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 52.14 111.06 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.47 17.17 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.31 109.292 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.06 7.73 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.22 110.966 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 40' ' ' LEU . 60.3 t -128.45 135.23 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 60.31 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 13.1 mtmt -83.73 147.62 27.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 74.23 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.14 15.47 22.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 72.23 111.003 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.3 t80 -81.96 173.24 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 74.14 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.94 150.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 64.01 109.318 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 70.42 110.989 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.327 -0.249 . . . . 74.35 110.327 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.31 137.54 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.24 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -124.32 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.1 109.967 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.657 HG22 HG13 ' A' ' 37' ' ' ILE . 74.9 t -54.59 134.93 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 74.5 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.827 ' O ' HG22 ' A' ' 23' ' ' THR . 61.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.53 109.3 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.713 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -47.45 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 71.45 109.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.768 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -64.53 -12.34 43.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 72.33 109.297 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.444 HG13 ' C ' ' A' ' 8' ' ' ALA . 26.6 m -153.57 170.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 70.43 109.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.3 tp -64.46 103.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 71.23 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.713 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -99.01 109.56 54.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.22 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.891 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.01 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 73.33 111.023 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.9 tt -67.17 156.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 35.14 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 40.65 51.26 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 52.03 109.259 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.891 HG21 ' HD2' ' A' ' 12' ' ' PRO . 54.4 m -119.96 118.6 31.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.34 110.407 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.38 127.35 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 75.22 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.576 ' CD2' HG21 ' A' ' 11' ' ' ILE . 73.3 mt -84.16 139.8 32.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 73.13 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.529 ' O ' ' HE2' ' A' ' 22' ' ' MET . 30.0 p -125.51 172.64 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 71.34 110.402 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.83 -13.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.35 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.75 10.69 49.2 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 71.43 111.02 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.4 mtm -114.88 -31.67 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 73.5 110.991 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.529 ' HE2' ' O ' ' A' ' 18' ' ' THR . 50.0 mtm -99.13 177.09 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 42.12 111.005 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 6' ' ' VAL . 6.2 t -167.46 170.59 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 71.54 110.387 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.564 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.4 p -112.8 128.07 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 71.21 110.431 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.34 141.69 17.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 73.43 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.93 81.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 71.35 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -107.21 161.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 64.13 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.93 135.97 28.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 71.23 110.018 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.53 99.22 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.981 -2.508 . . . . 75.1 111.0 0.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 p -67.84 119.15 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.4 110.353 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.78 -150.22 26.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 63.22 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.832 HD11 ' O ' ' A' ' 56' ' ' MET . 93.6 mt -40.29 142.61 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 61.02 109.273 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.94 150.47 38.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 55.43 111.03 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.564 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.47 -13.27 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 43.54 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -80.15 -9.47 59.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 53.13 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.6 t70 -100.26 -4.81 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 63.11 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -52.31 -48.9 87.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 73.01 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.25 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.454 1.765 . . . . 62.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.5 mtp-105 -97.45 -23.14 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.15 110.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD13 HD23 ' A' ' 55' ' ' LEU . 25.0 mt -80.11 -23.04 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.13 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.42 135.57 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 73.34 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.82 -11.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 75.53 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.04 132.43 45.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 52.52 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.49 148.89 21.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 52.51 110.289 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.3 m -78.63 151.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 73.44 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 20.5 p30 -102.74 30.35 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 73.42 109.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 13' ' ' ILE . 7.5 tt0 -177.75 159.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.22 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.5 t -78.57 108.61 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 51.15 109.29 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -111.1 118.77 47.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 63.34 109.315 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.527 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 165.67 30.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 73.54 111.021 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.81 121.61 15.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 74.42 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.82 -17.23 39.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 72.21 110.967 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.414 ' HB ' HG23 ' A' ' 49' ' ' VAL . 3.1 m -72.23 115.67 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 71.34 110.386 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.603 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.4 m -49.44 132.52 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 74.05 110.434 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 40' ' ' LEU . 7.4 tp -79.82 132.69 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.32 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.832 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.5 mmt -108.59 161.72 22.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 74.21 111.037 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -24.7 12.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 75.12 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.91 10.07 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 50.22 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.4 mtm -113.03 16.22 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 64.22 111.036 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG21 HD22 ' A' ' 40' ' ' LEU . 20.5 t -137.82 141.88 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 51.1 109.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 57.4 mttt -89.04 150.77 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 70.44 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.81 18.65 11.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 65.15 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 16.5 t80 -84.21 172.94 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.772 . . . . 70.14 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.6 150.44 0.17 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 31.43 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 72.23 110.984 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.339 -0.245 . . . . 63.35 110.339 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.46 131.27 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 71.34 110.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -116.35 145.14 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 72.51 109.968 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.712 HG22 HG13 ' A' ' 37' ' ' ILE . 60.1 t -55.19 135.48 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 72.15 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 4' ' ' SER . 76.0 t -137.11 120.85 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 54.21 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.694 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.22 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.748 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.11 -13.62 38.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 70.34 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 8' ' ' ALA . 18.8 m -152.35 169.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 63.03 109.276 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.2 tp -64.31 101.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 71.4 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.694 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -96.94 110.65 54.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 73.23 109.274 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.814 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.05 173.26 14.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.44 1.758 . . . . 71.14 111.02 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 47' ' ' GLN . 15.6 tt -68.59 154.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.3 109.334 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 42.93 50.83 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.33 109.26 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.814 HG21 ' HD2' ' A' ' 12' ' ' PRO . 41.3 m -121.4 118.23 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 53.15 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.48 129.27 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 65.25 109.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' A' ' 11' ' ' ILE . 68.2 mt -86.03 140.65 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 44.15 109.337 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -127.38 169.79 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 72.34 110.377 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -75.72 -13.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 73.43 109.259 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.73 10.65 56.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 75.04 111.034 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.8 mtm -117.02 -33.81 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 64.42 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.455 ' HE2' ' O ' ' A' ' 18' ' ' THR . 47.8 mtm -97.53 178.64 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.55 110.96 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.748 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -167.74 175.65 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.33 110.412 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.528 ' CG2' HD12 ' A' ' 37' ' ' ILE . 68.9 p -116.15 136.01 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 74.42 110.437 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.47 140.72 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 72.2 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.1 t -77.73 82.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.31 109.294 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.8 m -106.59 163.36 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.31 109.272 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.58 135.22 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.3 109.986 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.69 99.3 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.966 -2.514 . . . . 72.55 111.009 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 p -69.59 118.31 12.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 64.53 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.72 -150.41 26.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 71.12 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.799 HD11 ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.46 142.64 0.74 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 73.35 109.277 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.94 38.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 70.33 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.28 -13.42 38.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 52.34 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -79.66 -8.57 59.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 72.34 110.251 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -101.84 -4.9 25.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 61.11 109.339 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.712 HG13 HG22 ' A' ' 5' ' ' VAL . 1.2 mt -52.34 -48.94 87.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 63.33 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -8.02 19.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 63.32 111.02 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.8 mtp-105 -97.37 -24.05 15.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 71.32 110.264 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.877 HD13 HD23 ' A' ' 55' ' ' LEU . 19.1 mt -79.21 -23.15 44.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 64.41 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.5 mt -56.69 135.62 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 71.24 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 t 84.7 -10.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.25 110.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.5 131.57 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.21 110.984 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.27 146.37 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.45 110.296 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.6 m -75.39 155.56 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.14 109.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 22.5 p30 -105.38 29.86 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 61.35 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.721 ' HA ' HD12 ' A' ' 13' ' ' ILE . 7.2 tt0 -178.55 159.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.33 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.4 t -77.99 109.05 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 72.32 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -111.21 119.48 45.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.3 109.324 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.526 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 164.38 33.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 63.31 111.037 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.6 ttp -66.15 121.58 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 74.13 110.967 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.94 -16.97 38.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 73.3 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' HG23 ' A' ' 49' ' ' VAL . 3.4 m -73.42 115.86 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 73.25 110.398 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.591 ' OG1' HG21 ' A' ' 27' ' ' VAL . 2.9 m -49.51 135.01 18.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 65.43 110.402 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.877 HD23 HD13 ' A' ' 40' ' ' LEU . 7.4 tp -81.73 131.76 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 74.35 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.799 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.3 mmt -106.63 161.96 21.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 73.13 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.98 -24.07 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 74.33 111.008 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 6.87 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.35 109.334 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mtm -110.9 16.77 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 72.54 110.928 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.494 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 24.8 t -137.57 138.56 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 71.23 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 56.0 mttt -85.57 152.3 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.35 109.271 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.15 20.57 4.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 75.02 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 11.9 t80 -84.66 173.01 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 74.32 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.46 150.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 71.33 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 74.22 110.987 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.321 -0.251 . . . . 73.41 110.321 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.76 132.08 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.51 110.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.79 142.86 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.11 109.959 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.877 HG22 HG13 ' A' ' 37' ' ' ILE . 71.1 t -54.57 136.36 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 64.03 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 4' ' ' SER . 52.0 t -138.98 119.8 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.12 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -43.83 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 65.01 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -66.95 -11.2 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 70.22 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.4 m -157.69 170.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 71.01 109.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.43 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 70.45 109.34 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.575 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -82.36 114.14 49.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 51.44 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.903 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 60.2 111.025 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 tt -70.51 153.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.13 109.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 41.14 54.41 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 53.11 109.285 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.612 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -123.59 128.86 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 70.42 110.384 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.73 131.62 51.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 64.24 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 45' ' ' VAL . 77.4 mt -84.87 140.49 31.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.12 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.474 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.3 p -125.78 173.8 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 75.31 110.37 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.98 -14.37 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.43 109.287 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.29 10.58 54.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 33.21 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.596 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -114.41 -32.43 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 43.13 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE2' ' O ' ' A' ' 18' ' ' THR . 62.6 mtm -97.73 168.82 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 75.04 111.022 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.819 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -158.65 166.44 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 73.25 110.427 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.535 HG22 HD12 ' A' ' 37' ' ' ILE . 23.9 p -109.22 134.95 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 74.4 110.4 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.24 143.95 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 75.22 110.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.65 81.68 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 44.12 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.3 m -106.32 157.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 63.11 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.66 135.59 27.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.02 110.043 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 153.06 98.9 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 74.23 111.022 0.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -69.65 118.82 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.02 110.419 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.26 -146.66 21.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 52.4 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.806 HD11 ' O ' ' A' ' 56' ' ' MET . 69.9 mt -42.76 142.67 1.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 65.12 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 150.91 38.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 75.31 110.982 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -12.61 39.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 64.44 109.324 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.79 -11.51 59.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.21 110.287 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.05 -4.91 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.14 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.877 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -53.27 -48.66 91.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 64.35 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -7.67 19.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 42.54 111.01 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.39 -20.18 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 74.03 110.313 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD11 HG21 ' A' ' 32' ' ' ILE . 29.8 mt -83.43 -24.52 31.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 73.42 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.52 135.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.44 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.41 -10.98 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 65.2 109.96 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.78 130.56 45.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 51.03 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' THR . 30.6 mt-30 -84.38 153.14 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.41 110.298 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.2 m -93.95 144.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.43 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.6 p30 -92.83 28.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 63.52 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -178.57 148.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 72.15 110.311 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.903 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -78.47 96.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.01 109.349 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ILE . 58.5 t -83.55 121.33 76.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.24 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.74 25.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 50.25 111.027 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.3 ttp -47.26 120.29 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 61.42 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.42 -9.66 41.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 42.23 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.476 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 22.9 m -82.62 121.53 26.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 61.32 110.415 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.483 HG23 ' CG2' ' A' ' 27' ' ' VAL . 2.9 m -51.32 139.86 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.32 110.389 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.713 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.17 125.77 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 65.15 109.294 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.806 ' O ' HD11 ' A' ' 32' ' ' ILE . 14.5 mmt -105.61 156.75 35.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 71.51 111.005 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -27.67 9.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 72.33 111.0 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.39 17.07 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 70.32 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 mtm -119.95 11.95 11.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 61.12 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.505 HG21 HD22 ' A' ' 40' ' ' LEU . 55.4 t -133.47 137.1 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 54.32 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 46.4 mttt -86.19 146.12 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 72.32 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.89 13.79 34.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 64.32 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.602 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 13.0 t80 -81.15 173.23 12.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 74.04 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.69 150.52 0.2 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 72.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 73.55 110.992 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.326 -0.25 . . . . 73.32 110.326 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.63 131.23 42.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.03 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -119.12 141.75 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 71.33 110.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 37' ' ' ILE . 69.2 t -54.55 134.66 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 70.22 109.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.979 ' O ' HG22 ' A' ' 23' ' ' THR . 56.1 t -138.59 119.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 65.41 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.747 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.23 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.87 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.17 -13.59 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.34 109.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 8' ' ' ALA . 27.9 m -153.44 170.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.45 109.264 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.2 tp -62.7 104.79 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 42.15 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.747 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.14 108.57 52.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.54 109.272 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.822 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.96 172.71 15.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 71.14 110.97 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 47' ' ' GLN . 12.8 tt -67.96 155.92 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 71.14 109.323 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 40.25 51.7 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 73.55 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.822 HG21 ' HD2' ' A' ' 12' ' ' PRO . 39.9 m -120.31 120.25 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 71.31 110.423 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.66 129.82 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 75.33 109.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 11' ' ' ILE . 80.4 mt -85.81 140.37 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 65.1 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.527 ' O ' ' HE2' ' A' ' 22' ' ' MET . 13.6 p -127.43 173.71 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 64.23 110.397 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.37 -14.15 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.31 109.327 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.92 10.75 52.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 70.21 111.02 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -114.71 -31.45 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 72.53 110.999 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.527 ' HE2' ' O ' ' A' ' 18' ' ' THR . 52.5 mtm -99.81 173.72 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.54 111.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.979 HG22 ' O ' ' A' ' 6' ' ' VAL . 12.1 t -162.67 169.21 20.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 70.24 110.378 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.621 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.5 p -112.96 126.11 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 60.42 110.41 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -151.79 145.41 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 73.31 110.293 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.76 79.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.54 109.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.1 m -106.53 158.0 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 64.33 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.8 t -128.59 135.93 28.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 61.21 110.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 154.13 99.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.057 -2.476 . . . . 65.24 110.965 0.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.6 p -71.15 118.94 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 64.4 110.419 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' CA ' ' CE ' ' A' ' 56' ' ' MET . . . -95.01 -144.31 16.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 74.53 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 56' ' ' MET . 95.1 mt -43.07 140.71 1.91 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 62.4 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 148.09 34.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 72.51 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.621 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.13 -12.92 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 44.24 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.55 -9.91 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 33.25 110.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.88 -0.68 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.4 109.285 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.61 -48.82 89.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.31 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 74.12 111.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 mtp-105 -97.6 -18.16 19.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 62.01 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 32' ' ' ILE . 11.5 mt -86.35 -23.76 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.96 136.28 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 72.02 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.73 -11.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.1 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.442 ' HE3' HG12 ' A' ' 60' ' ' VAL . 2.9 mtm -98.24 134.47 41.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.11 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -93.72 149.21 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 75.24 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.5 m -82.85 155.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 65.23 109.283 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.2 p30 -106.46 32.71 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.2 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.5 tt0 -178.41 156.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 63.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.1 t -76.43 96.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 64.14 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 89.7 t -94.8 116.15 66.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 61.24 109.285 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.04 162.81 36.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 74.34 110.964 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.12 118.02 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.11 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.87 -13.41 34.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 50.23 110.982 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -77.34 117.94 19.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 73.04 110.409 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.83 139.35 13.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 73.41 110.386 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD23 HD13 ' A' ' 40' ' ' LEU . 6.7 tp -87.02 132.83 33.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 41.24 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.847 ' O ' HD11 ' A' ' 32' ' ' ILE . 18.7 mmt -109.07 159.52 30.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.54 111.05 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -16.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 75.21 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -103.81 7.64 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.52 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -110.67 11.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 70.03 111.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG12 ' HE3' ' A' ' 43' ' ' MET . 30.5 t -133.39 135.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 61.42 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 10.0 mttm -83.91 150.84 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 71.04 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.08 14.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 73.44 110.989 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 18.0 t80 -81.25 173.16 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 75.43 110.968 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.48 149.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 54.32 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 73.22 111.021 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.3 -0.259 . . . . 73.3 110.3 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.75 133.14 50.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.31 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.88 144.59 46.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.42 110.011 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.882 HG22 HG13 ' A' ' 37' ' ' ILE . 68.9 t -54.56 135.82 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 71.23 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.893 ' O ' HG22 ' A' ' 23' ' ' THR . 52.8 t -139.79 118.81 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 75.24 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.764 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.42 99.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 62.11 109.253 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.863 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.1 -13.45 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 70.01 109.286 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 8' ' ' ALA . 24.8 m -154.19 171.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 75.1 109.255 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tp -62.84 105.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 71.05 109.273 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.764 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.24 108.61 53.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 75.1 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.846 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 173.11 15.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 73.1 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.0 tt -67.86 155.11 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 74.31 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 41.16 51.41 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.13 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.846 HG21 ' HD2' ' A' ' 12' ' ' PRO . 58.3 m -119.45 118.34 30.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 51.01 110.406 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 127.73 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.03 109.275 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 85.1 mt -82.5 138.56 34.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.42 109.273 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -127.46 168.42 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 74.14 110.418 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.8 p -75.03 -13.64 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.11 109.353 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.34 10.78 54.45 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.122 . . . . 15.44 110.973 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.02 -33.5 4.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 62.11 111.03 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.9 mtm -97.8 175.57 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 63.33 110.975 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 6' ' ' VAL . 7.1 t -164.89 171.24 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 74.54 110.432 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.683 ' CG2' HD12 ' A' ' 37' ' ' ILE . 70.1 p -113.01 127.94 56.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 72.45 110.406 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.78 140.2 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 75.54 110.272 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.35 82.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 62.55 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.5 m -106.55 161.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 73.23 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.3 t -128.43 135.44 27.56 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 61.43 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 153.26 99.07 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.983 -2.507 . . . . 75.24 110.987 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -67.51 119.03 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 63.31 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.529 ' HA2' ' HE2' ' A' ' 56' ' ' MET . . . -97.08 -148.98 24.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 75.33 111.024 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.868 HD11 ' O ' ' A' ' 56' ' ' MET . 73.3 mt -41.1 142.56 0.86 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 63.01 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 149.73 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 32.15 110.998 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.591 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.31 -12.75 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 65.33 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.99 -10.06 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 65.22 110.341 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' LEU . 1.2 m-20 -100.34 -6.7 25.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.31 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.882 HG13 HG22 ' A' ' 5' ' ' VAL . 1.5 mt -51.95 -48.27 88.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 64.52 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -8.1 19.74 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 62.11 110.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -97.93 -24.72 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 71.41 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD13 HD23 ' A' ' 55' ' ' LEU . 11.5 mt -77.49 -20.9 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.43 109.3 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.2 mm -54.84 134.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 75.32 109.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 3.3 t 85.03 -11.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 73.12 109.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -98.22 131.09 44.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.32 111.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.93 156.17 18.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 71.44 110.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 19.1 m -88.37 154.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 53.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.5 p30 -105.35 32.87 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.52 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.3 tt0 -178.5 155.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.35 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.3 t -76.3 96.78 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 72.13 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.0 t -94.76 115.63 65.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 71.14 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 65.11 110.989 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.8 ttp -61.39 119.98 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 53.05 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.33 -14.29 39.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 52.44 111.008 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -77.6 116.68 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 52.12 110.395 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.659 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.2 m -49.71 141.04 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 71.3 110.432 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD23 HD13 ' A' ' 40' ' ' LEU . 6.8 tp -87.96 130.27 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.4 109.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.868 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.4 mmt -106.38 161.16 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 65.32 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.96 -22.92 14.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 72.5 111.031 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -98.24 8.74 44.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 64.23 109.324 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 mtm -113.92 15.74 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 74.5 110.984 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.42 HG12 ' HE3' ' A' ' 43' ' ' MET . 48.3 t -135.73 137.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 62.43 109.266 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.2 mttt -86.68 149.95 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 63.13 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.49 17.8 13.8 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 64.35 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 16.3 t80 -83.36 173.25 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 75.04 110.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.37 149.87 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 62.13 109.284 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 52.42 111.023 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.292 -0.262 . . . . 62.42 110.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.43 131.66 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 64.31 110.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -115.97 145.76 42.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 43.43 109.998 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 37' ' ' ILE . 67.7 t -56.42 135.28 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 35.31 109.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 4' ' ' SER . 58.2 t -137.26 123.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 74.03 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.63 102.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 55.23 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.813 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -67.3 -9.72 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 64.54 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 8' ' ' ALA . 29.8 m -157.09 171.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.14 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.8 tp -65.36 103.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 75.23 109.34 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.632 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -99.26 109.05 53.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 70.44 109.35 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.872 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.97 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 54.22 111.035 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 47' ' ' GLN . 15.0 tt -67.72 154.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 71.15 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 42.3 50.68 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 74.14 109.301 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.872 HG21 ' HD2' ' A' ' 12' ' ' PRO . 54.7 m -120.36 117.47 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 51.34 110.37 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.13 129.17 20.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 43.11 109.282 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 11' ' ' ILE . 71.5 mt -84.98 139.93 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.2 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.446 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -126.92 170.33 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 73.42 110.421 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.46 -13.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 75.24 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 10.73 55.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 72.02 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.2 mtm -116.51 -32.8 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 64.12 111.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.446 ' HE2' ' O ' ' A' ' 18' ' ' THR . 53.2 mtm -98.28 177.21 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.54 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.813 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -167.37 171.45 10.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 72.43 110.42 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.572 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.2 p -112.64 137.18 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 72.4 110.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.87 144.51 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.33 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.62 82.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 63.31 109.275 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.596 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.5 m -106.6 162.02 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 50.23 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -129.71 135.55 27.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 53.21 110.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.02 153.74 99.29 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 72.21 110.971 0.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -68.88 118.78 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 70.31 110.43 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' HE1' ' A' ' 56' ' ' MET . . . -96.39 -150.24 26.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 53.23 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.82 HD11 ' O ' ' A' ' 56' ' ' MET . 79.6 mt -41.41 142.46 0.97 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 72.42 109.335 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.95 34.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.779 . . . . 45.25 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.572 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.13 -15.36 45.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 65.44 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.71 -1.99 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 60.01 110.292 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.71 -0.7 17.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 73.25 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -53.27 -48.42 92.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 75.32 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -7.55 19.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 62.11 110.98 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -97.62 -19.14 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 74.52 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.769 HD13 HD23 ' A' ' 55' ' ' LEU . 13.5 mt -85.07 -24.36 28.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 75.23 109.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.18 135.99 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 73.24 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.79 -11.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 75.2 109.975 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.411 ' HE3' HG12 ' A' ' 60' ' ' VAL . 2.9 mtm -99.43 129.17 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 63.23 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' THR . 18.2 mt-30 -90.24 147.59 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 72.35 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -77.21 153.39 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 72.21 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 22.0 p30 -103.67 30.65 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 65.23 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 13' ' ' ILE . 7.5 tt0 -178.63 159.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 50.45 110.336 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.79 107.95 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 74.33 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.8 116.91 51.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 73.25 109.275 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.08 165.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 54.14 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.7 ttm -65.93 124.34 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 64.24 111.027 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.56 51.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 64.3 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.437 ' HB ' HG23 ' A' ' 49' ' ' VAL . 7.5 m -76.12 114.91 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 61.12 110.38 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.596 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.7 m -49.53 134.93 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 74.31 110.405 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.769 HD23 HD13 ' A' ' 40' ' ' LEU . 7.6 tp -80.81 130.91 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 75.03 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.82 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.8 mmt -106.44 161.93 21.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 73.42 111.034 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.577 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -23.92 13.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 65.23 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.34 7.65 46.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 60.42 109.297 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -111.94 20.34 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.54 110.979 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.493 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 21.4 t -142.99 137.89 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 61.52 109.276 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 59.5 mttt -86.52 151.06 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 73.41 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.39 17.72 12.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 70.25 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 14.8 t80 -82.79 173.25 12.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 71.11 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.52 150.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 53.14 109.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 74.15 110.978 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.348 -0.241 . . . . 73.34 110.348 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.84 134.06 48.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.03 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.77 144.5 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 63.41 109.972 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.645 HG11 HD23 ' A' ' 55' ' ' LEU . 77.0 t -54.65 134.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.55 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 23' ' ' THR . 64.2 t -137.35 124.11 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 62.42 109.308 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.635 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -48.95 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 50.22 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.8 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.86 -13.07 41.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 70.44 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.4 m -156.12 172.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 71.03 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.14 92.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 71.4 109.256 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.635 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -83.59 114.06 51.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.2 109.322 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.901 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.03 171.65 17.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.762 . . . . 73.44 110.947 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.409 HG12 ' ND2' ' A' ' 14' ' ' ASN . 19.5 tt -71.89 153.73 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 63.1 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 m120 44.2 50.18 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 43.41 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.633 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -121.04 128.24 52.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 50.33 110.44 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -58.3 135.49 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 53.33 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.65 HD21 ' CG1' ' A' ' 45' ' ' VAL . 82.1 mt -87.17 137.51 32.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 71.52 109.333 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.476 ' O ' ' HE2' ' A' ' 22' ' ' MET . 15.0 p -125.45 171.52 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 75.44 110.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.02 -13.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 71.04 109.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.73 10.47 52.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 32.3 111.029 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.511 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.5 mtm -115.07 -33.58 5.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 73.15 111.035 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.476 ' HE2' ' O ' ' A' ' 18' ' ' THR . 46.3 mtm -98.12 172.61 7.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 71.31 111.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.8 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 4.9 t -162.56 170.84 17.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 73.41 110.426 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.606 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 74.4 p -113.42 128.97 56.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 72.43 110.368 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.43 140.25 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 75.13 110.316 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.43 80.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 75.21 109.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.631 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.4 m -106.31 159.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 44.33 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.53 135.87 28.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.43 109.985 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.63 99.27 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 73.32 110.979 -0.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 p -69.1 119.51 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 54.14 110.391 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.66 -148.18 23.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 74.22 111.019 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.866 HD11 ' O ' ' A' ' 56' ' ' MET . 58.3 mt -41.66 142.42 1.05 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 72.24 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 148.97 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 71.24 111.026 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.606 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.74 -14.51 59.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.14 109.317 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.87 -7.99 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.54 110.31 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.91 -2.07 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 71.24 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.612 HG13 HG22 ' A' ' 5' ' ' VAL . 1.2 mt -52.26 -48.27 89.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 72.03 109.323 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.03 -6.28 17.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 75.24 111.01 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -97.44 -24.71 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.43 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 32' ' ' ILE . 25.9 mt -79.45 -23.97 42.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 73.24 109.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.96 136.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 62.13 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.69 -11.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 74.41 110.02 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -98.56 130.52 45.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.24 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 45.5 mt-30 -85.11 155.94 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.42 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.65 ' CG1' HD21 ' A' ' 17' ' ' LEU . 18.1 m -95.52 143.13 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 65.12 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 28.5 p30 -90.85 18.61 6.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 62.1 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.08 149.79 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 71.22 110.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.901 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -79.31 96.41 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 45.1 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ILE . 60.8 t -83.38 120.65 75.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 64.25 109.287 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.93 141.62 27.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 71.2 111.023 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -47.53 121.07 3.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.5 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.2 -7.83 48.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.423 1.077 . . . . 64.51 110.993 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.443 HG21 ' HD2' ' A' ' 50' ' ' PRO . 31.2 m -86.85 119.43 27.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 73.21 110.449 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.631 ' OG1' HG21 ' A' ' 27' ' ' VAL . 2.6 m -51.41 140.42 17.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 63.01 110.413 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.691 HD23 HD13 ' A' ' 40' ' ' LEU . 6.5 tp -87.55 129.69 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.54 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.866 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -105.98 161.07 23.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 61.43 110.985 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.01 -28.56 9.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 72.2 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -92.23 10.43 29.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 74.02 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -115.31 19.66 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.12 111.029 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.24 138.84 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 72.41 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 12.1 mtmt -85.8 146.17 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.24 109.274 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.45 14.29 26.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.57 1.169 . . . . 61.44 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.7 t80 -78.19 172.6 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 72.4 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.638 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.59 149.91 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.52 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 74.33 111.024 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.423 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.272 -0.27 . . . . 73.25 110.272 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.47 136.97 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 65.25 110.32 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -124.62 143.22 50.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.675 HG11 HD23 ' A' ' 55' ' ' LEU . 71.0 t -54.6 135.89 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.03 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 4' ' ' SER . 71.0 t -136.21 132.84 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 64.33 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -62.82 100.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.23 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.86 -13.02 41.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.11 109.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 8' ' ' ALA . 22.4 m -154.1 167.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 73.15 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.82 92.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.02 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.609 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -83.22 114.09 50.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.11 109.337 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.829 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.06 173.16 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 63.53 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 tt -68.49 155.35 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 61.01 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 40.81 50.39 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 63.1 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.829 HG21 ' HD2' ' A' ' 12' ' ' PRO . 65.0 m -118.08 116.0 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 72.14 110.381 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.9 125.18 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 75.4 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' CD2' HG21 ' A' ' 11' ' ' ILE . 69.1 mt -78.99 141.61 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 64.23 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.512 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -126.17 171.66 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 61.22 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.03 -13.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.33 109.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.88 10.62 48.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.445 1.09 . . . . 60.22 111.019 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -115.28 -32.72 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.737 . . . . 71.51 110.985 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.512 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -98.2 170.61 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 73.04 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 3.0 t -160.34 169.06 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 54.41 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.494 ' CG2' HD12 ' A' ' 37' ' ' ILE . 70.9 p -113.68 127.63 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.1 110.377 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 145.56 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 62.24 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -76.08 80.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 65.41 109.328 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.609 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.3 159.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 72.34 109.329 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.58 135.97 28.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 62.1 109.977 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.97 153.67 99.29 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.042 -2.483 . . . . 71.13 111.034 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p -67.83 118.73 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.23 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -95.85 -152.19 28.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 71.11 110.956 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.889 HD11 ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.13 142.32 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 75.32 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 149.12 36.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 71.55 110.981 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -61.51 -15.14 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 64.23 109.255 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.7 -0.72 35.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.03 -1.17 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 74.34 109.298 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -53.48 -48.57 92.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 75.23 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.93 -7.92 19.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 72.05 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 16.1 mtp-105 -97.52 -18.39 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 51.52 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.858 HD13 HD23 ' A' ' 55' ' ' LEU . 20.8 mt -85.55 -24.48 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.23 109.305 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.2 mt -56.07 136.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 72.51 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.47 -11.09 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 54.42 109.995 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.84 128.59 45.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 72.21 111.01 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -87.98 152.89 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 54.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.4 m -85.48 154.98 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 64.33 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.0 p30 -105.78 30.99 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 74.03 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.6 tt0 -177.66 157.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 52.13 110.324 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 12' ' ' PRO . 2.9 t -84.33 102.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.12 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG22 ' HB ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -99.04 121.79 54.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 60.1 109.29 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.46 21.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 74.22 110.979 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.3 ttp -39.63 122.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 73.11 110.982 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.21 -12.46 48.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 63.45 110.994 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -76.25 114.45 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 71.34 110.378 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.609 ' OG1' HG21 ' A' ' 27' ' ' VAL . 4.1 m -49.56 127.61 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 75.41 110.391 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.858 HD23 HD13 ' A' ' 40' ' ' LEU . 6.7 tp -72.5 130.6 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 62.43 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.889 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.7 mmt -107.38 161.11 24.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 71.21 111.005 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.581 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 62.43 111.011 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.37 10.18 40.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 60.43 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 mtm -112.42 10.11 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 75.22 110.986 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.43 138.12 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 75.22 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 53.6 mttt -86.21 150.37 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 75.21 109.305 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 73.52 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 10.0 t80 -83.12 173.2 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 74.23 110.98 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.16 151.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 53.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 43.42 110.964 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.427 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.287 -0.264 . . . . 75.44 110.287 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -68.56 131.67 45.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 71.14 110.292 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -120.55 144.37 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 35.33 110.023 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.9 HG22 HG13 ' A' ' 37' ' ' ILE . 70.3 t -54.6 135.24 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.33 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' HG22 ' A' ' 23' ' ' THR . 53.4 t -139.85 122.99 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 72.11 109.321 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.745 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -50.19 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 51.3 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.808 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.25 -13.59 39.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 71.24 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.476 HG13 ' C ' ' A' ' 8' ' ' ALA . 19.9 m -155.32 172.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 72.45 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.58 105.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 72.32 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.745 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.75 107.98 51.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 61.43 109.296 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.904 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.98 173.2 14.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 74.14 111.0 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.4 tt -68.04 156.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 74.32 109.275 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 40.85 49.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.13 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.904 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.1 m -117.29 119.82 36.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 63.53 110.385 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 125.98 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 73.21 109.346 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 40' ' ' LEU . 75.2 mt -78.08 144.43 36.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 60.11 109.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' SD ' ' A' ' 22' ' ' MET . 1.6 p -144.89 152.4 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 74.34 110.425 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.99 -30.12 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 44.11 109.295 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.96 11.26 57.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 75.41 110.983 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.2 mtm -120.94 -37.39 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 0.73 . . . . 64.35 111.038 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' ' O ' ' A' ' 18' ' ' THR . 2.8 mpp? -97.56 178.42 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 72.34 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 6' ' ' VAL . 11.0 t -167.72 169.58 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 74.33 110.391 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.7 ' CG2' HD12 ' A' ' 37' ' ' ILE . 69.8 p -110.26 126.35 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 71.41 110.381 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.41 144.22 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 74.2 110.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.7 81.94 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 63.43 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -107.48 161.79 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 74.34 109.331 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.8 t -130.49 135.96 28.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 72.33 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.22 99.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.009 -2.496 . . . . 72.34 111.048 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 p -67.8 118.81 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 70.13 110.374 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.42 -149.03 25.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 61.11 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 56' ' ' MET . 59.0 mt -40.49 142.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 75.41 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.45 38.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 62.22 111.031 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.64 -12.99 38.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 41.42 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.37 -10.95 59.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 70.21 110.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.3 t70 -100.11 -7.34 25.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.02 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.9 HG13 HG22 ' A' ' 5' ' ' VAL . 1.6 mt -51.62 -48.8 85.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.32 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.03 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 51.41 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -97.57 -21.12 17.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.44 110.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HG21 ' A' ' 32' ' ' ILE . 12.2 mt -82.38 -24.98 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.21 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -53.64 135.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.24 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -11.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 50.52 110.013 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.9 mtm -99.7 130.64 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 63.52 110.981 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -87.59 151.86 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.4 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -85.05 159.63 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 71.53 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 23.0 p30 -109.85 30.51 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 70.24 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.7 tt0 -176.98 156.02 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 52.14 110.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 48' ' ' VAL . 2.7 t -76.76 96.64 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 72.45 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.3 t -94.27 114.65 63.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 40.02 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.97 157.17 43.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 75.22 111.028 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.5 120.05 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.01 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.97 -15.37 40.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 61.31 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 21.2 m -75.71 115.44 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 52.44 110.41 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.615 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.3 m -49.85 138.81 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 74.41 110.438 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.787 HD23 HD13 ' A' ' 40' ' ' LEU . 6.4 tp -85.3 130.71 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.34 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.914 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.6 mmt -108.27 160.89 25.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 50.42 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.582 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.99 -22.76 14.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 73.22 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.39 10.63 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 75.13 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mtm -115.82 12.07 15.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 64.04 110.971 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.452 HG21 HD22 ' A' ' 40' ' ' LEU . 57.9 t -131.01 139.17 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 73.33 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 16.6 mtmt -87.14 150.43 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 74.44 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.6 18.78 8.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 73.43 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 22.2 t80 -81.55 173.38 12.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 74.22 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.11 147.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 62.43 109.32 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 72.32 111.002 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.281 -0.266 . . . . 65.13 110.281 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.09 131.36 44.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 72.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.497 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.01 143.27 46.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.34 110.039 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.771 HG11 HD12 ' A' ' 55' ' ' LEU . 71.3 t -54.61 135.05 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 70.35 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 4' ' ' SER . 58.7 t -138.13 118.04 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 55.12 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.691 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.76 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 61.32 109.28 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.767 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -68.82 -8.64 45.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.13 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.5 m -157.77 171.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 71.32 109.249 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.1 tp -63.91 105.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 43.23 109.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.691 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.98 107.46 52.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 70.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.9 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 71.41 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 47' ' ' GLN . 6.0 tt -67.27 155.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.51 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 13.0 m-20 41.76 51.15 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 61.01 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.9 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -119.99 117.26 27.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 72.3 110.365 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.67 126.68 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 54.44 109.293 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.562 ' CD2' HG21 ' A' ' 11' ' ' ILE . 82.9 mt -84.03 139.52 32.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 74.23 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' CE ' ' A' ' 22' ' ' MET . 19.5 p -126.26 173.08 9.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 61.24 110.385 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.35 -16.09 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.25 109.273 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.54 10.64 57.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 52.05 111.01 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -115.25 -28.96 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 73.35 110.983 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 18' ' ' THR . 54.5 mtm -101.92 176.59 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.34 110.996 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.767 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -167.66 170.39 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 74.42 110.377 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -110.33 135.43 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 55.3 110.403 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.78 145.16 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 65.11 110.271 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.96 81.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 70.25 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.713 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.3 158.5 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 75.11 109.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.59 136.15 28.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 33.34 109.996 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 153.76 99.31 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.993 -2.503 . . . . 52.3 111.022 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -66.62 118.11 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 55.13 110.395 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.527 ' HA2' ' HE2' ' A' ' 56' ' ' MET . . . -96.04 -149.91 26.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 63.24 111.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.912 HD11 ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.7 142.33 0.81 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 70.11 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 149.79 36.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 74.05 110.967 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.8 -13.29 42.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 63.4 109.31 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -80.62 -11.31 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.52 110.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.04 -3.2 38.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 64.43 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.645 HG13 HG22 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -52.86 -49.07 88.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 55.51 109.303 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.61 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 70.11 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.9 mtp-105 -97.42 -16.83 20.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 74.34 110.363 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.777 HD11 HG21 ' A' ' 32' ' ' ILE . 27.5 mt -87.65 -23.69 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 74.25 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -55.87 135.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.83 -11.04 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 75.31 110.027 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -100.68 131.07 46.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 75.32 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -91.21 147.47 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 74.14 110.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.8 m -76.09 151.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 74.35 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 24.2 p30 -102.63 30.89 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 71.11 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.7 tt0 -178.62 159.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 62.22 110.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.63 107.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 61.34 109.312 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.13 115.66 54.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 60.11 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 54.21 110.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.525 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 29.9 ttm -64.22 124.03 20.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.52 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.45 -16.08 52.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 62.33 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.439 ' HB ' HG23 ' A' ' 49' ' ' VAL . 18.5 m -73.68 114.19 11.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 63.1 110.364 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.713 ' OG1' HG21 ' A' ' 27' ' ' VAL . 7.0 m -49.51 135.03 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 75.41 110.427 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.771 HD12 HG11 ' A' ' 5' ' ' VAL . 4.7 mt -80.92 140.56 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.55 109.332 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.912 ' O ' HD11 ' A' ' 32' ' ' ILE . 4.0 mmt -118.05 159.91 41.13 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 50.24 110.993 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.563 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -19.89 17.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.763 . . . . 73.55 111.034 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.06 7.0 44.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 62.24 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.424 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 8.5 mtm -115.22 20.26 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 60.12 111.037 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.495 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 56.6 t -135.28 140.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 72.22 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 26.8 mtmt -87.05 150.78 23.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 51.02 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.24 21.79 3.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.474 1.109 . . . . 64.34 111.009 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 24.1 t80 -83.21 172.93 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 72.12 110.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.95 148.84 0.16 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 44.53 109.361 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 71.41 110.972 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.312 -0.255 . . . . 53.24 110.312 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.31 134.11 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.54 110.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -122.24 145.52 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 72.22 109.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.864 HG22 HG13 ' A' ' 37' ' ' ILE . 69.3 t -54.5 134.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.42 109.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 4' ' ' SER . 59.7 t -137.27 124.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 64.42 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.75 100.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.13 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.737 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -64.27 -12.68 43.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 71.53 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 8' ' ' ALA . 30.1 m -155.4 168.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 72.43 109.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 50' ' ' PRO . 3.9 tp -63.58 99.96 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 53.54 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.644 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.54 112.07 53.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 75.05 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.745 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.441 1.759 . . . . 75.03 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.8 tt -70.9 151.65 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 43.21 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.7 m-80 46.92 49.27 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.42 109.264 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.745 HG21 ' HD2' ' A' ' 12' ' ' PRO . 51.2 m -121.48 120.72 35.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 45.31 110.412 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.2 40.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 45.12 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 11' ' ' ILE . 72.9 mt -86.22 141.37 29.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.11 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.53 ' O ' ' HE2' ' A' ' 22' ' ' MET . 41.1 p -124.72 176.62 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.4 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -81.96 -14.37 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 75.23 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.22 10.9 51.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 42.54 111.044 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.542 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -113.12 -33.59 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 71.43 110.979 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.53 ' HE2' ' O ' ' A' ' 18' ' ' THR . 53.1 mtm -98.1 175.59 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 74.42 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.737 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -162.72 171.89 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 75.54 110.396 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.439 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 58.9 p -111.83 129.62 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.4 110.384 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -161.21 119.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 73.42 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 26' ' ' VAL . 2.3 p -66.02 84.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 72.12 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 25' ' ' ARG . 4.5 m -106.18 167.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.14 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -128.62 133.69 25.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 73.02 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.03 153.5 99.16 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.967 -2.514 . . . . 50.12 111.007 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 p -69.98 123.0 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 62.22 110.415 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.72 -149.95 23.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 42.52 110.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.73 HG21 HD11 ' A' ' 40' ' ' LEU . 83.3 mt -40.47 142.55 0.75 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 61.42 109.361 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 152.54 41.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 73.35 111.016 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.64 -13.45 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 53.2 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -82.68 -12.77 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.3 110.271 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.33 -6.74 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 73.11 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.864 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -53.3 -48.52 92.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 74.55 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -7.45 19.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 64.45 110.976 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -97.42 -19.75 18.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.51 110.316 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 60' ' ' VAL . 23.0 mt -84.88 -23.76 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.53 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.56 136.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 61.23 109.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.65 -11.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 75.33 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.2 mtm -100.88 133.55 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 73.42 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -91.88 148.84 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.41 110.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG1' HD21 ' A' ' 17' ' ' LEU . 30.9 m -81.01 154.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 61.33 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.3 p30 -105.66 32.29 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 73.24 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.952 ' HA ' HD12 ' A' ' 13' ' ' ILE . 7.0 tt0 -178.15 156.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.42 110.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' HG12 ' A' ' 48' ' ' VAL . 2.9 t -74.39 96.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 64.21 109.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' ILE . 75.6 t -94.09 115.35 65.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 72.03 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.56 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 74.12 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.414 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.4 ttm -69.01 117.22 10.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 50.05 110.97 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.43 -13.26 33.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.473 1.108 . . . . 55.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -74.77 117.84 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 71.12 110.367 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.46 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.2 m -49.64 136.07 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 55.4 110.425 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.707 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -78.81 130.63 35.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.31 109.292 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.616 ' O ' HD11 ' A' ' 32' ' ' ILE . 12.3 mmt -110.2 156.77 39.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 54.42 111.019 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.96 -20.62 16.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 64.23 111.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.12 12.0 37.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 74.23 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 mtm -114.55 7.0 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.44 110.998 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.738 HG21 HD22 ' A' ' 40' ' ' LEU . 45.0 t -127.52 135.19 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 62.33 109.268 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 2.9 mtmp? -81.2 152.57 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 72.11 109.284 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.26 3.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 30.1 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.9 t80 -83.62 173.06 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 72.3 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.597 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.47 151.03 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 65.23 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 71.11 110.989 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.2 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.506 0.193 . . . . 64.14 111.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -113.43 88.46 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.03 109.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.33 131.7 45.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 75.45 110.354 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.18 135.62 57.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 74.12 110.361 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -121.65 144.3 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 42.44 109.966 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.726 HG11 HD23 ' A' ' 55' ' ' LEU . 79.0 t -54.62 134.86 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 71.22 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 4' ' ' SER . 54.0 t -138.51 123.88 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 72.41 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.735 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -50.85 99.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 42.21 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.888 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.3 -13.67 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 45.52 109.273 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.427 HG13 ' C ' ' A' ' 8' ' ' ALA . 26.9 m -154.03 171.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 75.14 109.339 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.95 105.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 73.25 109.337 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.735 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.6 108.41 53.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 72.2 109.268 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.861 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.98 173.05 15.17 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.435 1.755 . . . . 74.52 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 47' ' ' GLN . 11.7 tt -67.58 155.53 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 72.45 109.328 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.46 52.5 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 72.34 109.326 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.861 HG21 ' HD2' ' A' ' 12' ' ' PRO . 34.0 m -120.47 119.33 32.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 74.53 110.399 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.17 128.97 23.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 61.11 109.315 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 11' ' ' ILE . 82.9 mt -85.26 141.04 30.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 63.24 109.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.519 ' O ' ' HE2' ' A' ' 22' ' ' MET . 31.3 p -129.2 171.98 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 73.53 110.364 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.59 -14.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 52.54 109.284 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.79 10.75 55.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 75.31 111.017 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.52 -33.19 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 64.54 111.007 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.519 ' HE2' ' O ' ' A' ' 18' ' ' THR . 48.1 mtm -97.6 176.85 5.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 65.4 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.888 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -166.28 171.26 12.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 51.32 110.396 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -112.56 131.68 55.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 64.01 110.393 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.72 144.38 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 61.32 110.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -78.79 82.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 70.44 109.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.87 158.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 71.51 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -128.05 136.02 28.4 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.11 109.997 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.08 153.36 99.01 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 65.45 110.957 0.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 p -66.02 118.45 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.3 110.397 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.55 -149.98 26.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 74.24 110.979 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.909 HD11 ' O ' ' A' ' 56' ' ' MET . 55.3 mt -40.79 142.46 0.81 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 74.01 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 150.88 38.68 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 74.12 111.008 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.84 -13.19 42.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 51.41 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.31 -10.78 59.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 71.44 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.11 -3.81 37.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 61.42 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.641 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.93 -48.87 90.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 75.42 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -8.45 20.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 75.43 111.01 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.0 mtp-105 -97.62 -16.1 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 65.44 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 55' ' ' LEU . 24.4 mt -88.52 -23.73 23.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 72.11 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -56.0 135.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 61.03 109.245 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.71 -11.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 74.25 109.976 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.92 132.98 44.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 60.33 111.014 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.72 154.51 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 72.4 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.9 m -87.21 156.45 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 63.12 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.0 p30 -107.28 32.0 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 74.25 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.533 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.3 tt0 -178.3 155.82 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 71.41 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.5 t -76.53 96.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 44.12 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' ILE . 78.0 t -94.59 115.68 65.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 74.33 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.71 40.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 73.21 110.99 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.1 ttp -62.2 118.83 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 72.52 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.44 -14.08 36.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 75.44 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 m -76.84 117.26 18.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 74.33 110.401 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.696 ' OG1' HG21 ' A' ' 27' ' ' VAL . 6.4 m -49.87 138.15 15.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 72.42 110.333 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 40' ' ' LEU . 5.8 tp -85.43 129.96 34.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 75.31 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.909 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.2 mmt -108.05 160.88 25.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 75.23 110.981 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -25.65 11.63 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.52 1.8 . . . . 74.35 110.979 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.07 10.06 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 71.12 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -115.04 14.24 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 54.14 110.954 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.412 HG21 HD22 ' A' ' 40' ' ' LEU . 56.1 t -133.36 139.47 49.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 74.42 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 55.5 mttt -87.42 150.38 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 75.14 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.74 18.83 8.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 62.11 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -84.41 173.17 11.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 74.23 111.028 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.596 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.7 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 53.33 109.293 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.16 27.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.544 1.812 . . . . 55.34 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 72.54 109.334 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 1' ' ' ASN . 6.4 tpp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.455 0.169 . . . . 71.01 111.012 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.408 ' N ' ' HG3' ' A' ' 0' ' ' MET . 7.9 m-20 -95.12 87.95 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 62.35 109.328 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.422 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.96 133.47 45.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 72.3 110.321 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -70.11 136.93 50.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 73.01 110.285 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -121.9 143.01 49.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 61.3 109.998 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.765 ' CG1' HD12 ' A' ' 55' ' ' LEU . 71.0 t -56.16 134.36 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 75.22 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 4' ' ' SER . 55.6 t -137.06 127.62 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 54.12 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -53.29 98.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 75.21 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.914 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.21 -13.6 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 43.1 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG13 ' C ' ' A' ' 8' ' ' ALA . 25.3 m -153.93 172.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 71.32 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.39 105.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 74.11 109.25 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.754 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -101.11 108.07 53.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.52 109.287 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.824 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 173.05 15.18 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 73.4 110.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 tt -68.18 156.01 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 65.21 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.0 p30 40.45 51.19 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.31 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.824 HG21 ' HD2' ' A' ' 12' ' ' PRO . 42.3 m -120.27 120.29 35.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 74.35 110.385 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.75 131.22 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 44.42 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' CD2' HG21 ' A' ' 11' ' ' ILE . 79.1 mt -88.21 139.18 30.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 74.24 109.343 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' CE ' ' A' ' 22' ' ' MET . 26.1 p -124.72 173.33 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.2 110.409 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.37 -13.35 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 74.05 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.68 10.79 49.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 74.53 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -114.65 -31.48 6.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 72.24 110.996 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 18' ' ' THR . 52.4 mtm -97.58 176.37 5.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 74.41 110.974 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.914 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -165.48 169.74 15.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 73.13 110.415 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 69.6 p -112.9 128.61 56.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 64.3 110.393 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.48 143.03 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.21 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.52 82.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 63.42 109.284 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.816 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.86 158.3 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 71.4 109.345 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.8 t -128.0 136.12 28.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 71.41 109.984 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.014 -2.494 . . . . 73.05 111.007 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 p -64.19 118.78 9.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 54.35 110.421 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.33 25.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 74.03 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.818 HD11 ' O ' ' A' ' 56' ' ' MET . 72.8 mt -42.0 142.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 75.33 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 149.16 36.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.572 1.828 . . . . 45.12 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.76 -13.14 41.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 72.42 109.28 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.64 -10.75 59.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 75.03 110.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -98.28 -4.69 34.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 72.42 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.739 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.29 -49.15 86.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 70.25 109.309 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -8.39 20.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 50.24 110.983 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.721 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 9.7 mtp-105 -97.4 -22.96 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 64.12 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.797 HD11 HG21 ' A' ' 32' ' ' ILE . 30.4 mt -80.57 -22.34 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 72.33 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.69 135.57 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 73.4 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.74 -11.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 75.32 110.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.406 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.0 mtm -99.93 134.19 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 64.34 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -93.3 151.93 19.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 71.43 110.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG13 HD21 ' A' ' 17' ' ' LEU . 18.7 m -84.67 151.59 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 75.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.9 p30 -102.39 33.78 3.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.23 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.5 tt0 -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 74.25 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.1 t -76.02 96.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 65.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' ILE . 96.2 t -95.26 113.22 61.09 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 70.15 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.0 161.39 38.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.52 1.8 . . . . 72.31 111.008 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 61.0 ttp -63.34 120.14 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 74.24 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.92 -10.22 44.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 71.21 111.003 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 50' ' ' PRO . 17.7 m -80.58 115.73 20.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 41.53 110.415 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.816 ' OG1' HG21 ' A' ' 27' ' ' VAL . 21.2 m -49.73 137.13 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 65.33 110.415 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.765 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.7 mt -84.04 140.32 31.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 63.14 109.349 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.818 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -117.39 159.73 40.56 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 53.44 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -18.81 18.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 64.52 111.033 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -102.18 9.94 39.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.12 109.288 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.2 mtm -111.63 9.26 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 71.23 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 40' ' ' LEU . 21.5 t -131.28 139.78 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 72.25 109.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 9.7 mttm -87.92 150.17 23.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 75.32 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.1 16.35 18.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 74.13 111.034 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 15.3 t80 -82.92 173.07 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 74.13 111.011 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.593 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.33 150.5 0.19 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 70.11 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.98 23.63 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 63.01 110.978 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.721 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.22 109.303 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.9 tpt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.507 0.194 . . . . 63.4 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -134.02 88.46 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 74.02 109.261 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.59 131.71 45.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.34 110.287 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.05 134.24 56.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 73.12 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -120.37 143.3 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 73.43 109.997 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.713 HG22 HG13 ' A' ' 37' ' ' ILE . 66.1 t -54.63 134.93 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 74.45 109.288 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 4' ' ' SER . 54.7 t -137.16 126.0 35.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.1 109.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.666 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -52.68 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 73.5 109.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.735 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.41 -13.44 39.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 74.44 109.311 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 8' ' ' ALA . 24.1 m -153.35 169.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 71.22 109.362 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.2 tp -66.13 92.62 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 75.21 109.296 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.666 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -83.48 113.95 50.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 75.34 109.333 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.67 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.94 172.65 15.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 61.2 111.0 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.3 tt -71.81 150.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 72.21 109.31 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' ND2' HG12 ' A' ' 13' ' ' ILE . 56.0 m-80 47.3 50.69 14.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 61.12 109.356 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.67 HG21 ' HD2' ' A' ' 12' ' ' PRO . 25.4 m -124.45 119.37 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 71.53 110.425 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.18 133.93 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 75.31 109.296 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.628 ' CD2' HG21 ' A' ' 11' ' ' ILE . 63.3 mt -87.07 143.69 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.33 109.344 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' HE2' ' A' ' 22' ' ' MET . 28.8 p -127.7 171.84 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 62.24 110.423 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.462 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -77.87 -13.39 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 65.43 109.324 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.41 10.81 50.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.471 1.107 . . . . 71.42 111.03 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.8 mtm -115.69 -32.7 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 72.44 110.994 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.52 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -97.4 176.89 5.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 71.41 111.016 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.735 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -166.1 170.83 13.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 74.14 110.398 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.486 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.6 p -113.54 128.81 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 75.35 110.402 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.33 144.23 18.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 71.34 110.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -78.38 81.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.24 109.296 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.63 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.4 m -106.52 159.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 54.2 109.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.19 135.96 28.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 51.51 110.004 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.1 Cg_endo -75.01 153.39 99.12 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 120.997 -2.501 . . . . 63.12 110.975 0.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 p -66.88 118.94 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 73.23 110.415 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -97.11 -149.59 25.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 61.33 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.899 HD11 ' O ' ' A' ' 56' ' ' MET . 57.0 mt -40.48 142.46 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 72.33 109.269 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 151.21 39.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.548 1.815 . . . . 75.4 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.82 -13.05 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.14 109.305 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.84 -10.69 59.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 72.11 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 0.9 OUTLIER -97.6 -5.4 35.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 53.34 109.298 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.713 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.82 -49.07 85.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 72.51 109.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 71.33 110.932 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.1 mtp-105 -97.49 -19.86 18.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 65.04 110.289 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.808 HD13 HD23 ' A' ' 55' ' ' LEU . 18.5 mt -84.11 -22.6 31.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 72.23 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.97 135.43 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 71.23 109.267 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -10.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 71.1 109.991 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -100.03 131.1 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 61.04 110.992 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.03 157.21 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 54.04 110.356 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 17' ' ' LEU . 24.4 m -90.11 156.05 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 74.44 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.566 ' HA ' ' HZ3' ' A' ' 61' ' ' LYS . 21.8 p30 -107.76 31.88 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.34 109.297 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.4 tt0 -178.64 156.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.44 110.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.7 t -77.71 102.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 52.43 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG13 ' CG2' ' A' ' 53' ' ' THR . 93.4 t -95.8 114.88 64.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.03 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 138.02 22.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 53.43 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.42 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -43.47 120.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 60.21 110.988 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.39 -6.19 45.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 62.33 111.026 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.467 HG21 ' HD2' ' A' ' 50' ' ' PRO . 7.4 m -83.48 118.03 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 72.44 110.411 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.63 ' OG1' HG21 ' A' ' 27' ' ' VAL . 5.6 m -49.72 136.47 17.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 64.42 110.414 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.808 HD23 HD13 ' A' ' 40' ' ' LEU . 6.5 tp -84.59 130.33 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 62.52 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.899 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.1 mmt -107.79 160.94 24.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 75.4 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.03 -22.36 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 63.42 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.17 7.69 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 60.4 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.7 mtm -113.18 18.15 18.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 73.11 110.953 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.0 t -138.26 135.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.21 109.297 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.566 ' HZ3' ' HA ' ' A' ' 46' ' ' ASN . 8.4 mtmm -85.73 148.89 25.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.11 109.296 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.11 15.63 22.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 54.21 110.994 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 17.1 t80 -82.8 172.9 12.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 74.43 111.006 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.73 150.15 0.17 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 52.31 109.268 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -176.14 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 72.25 111.019 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 13.42 109.29 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.502 0.191 . . . . 61.4 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -133.07 87.74 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 72.01 109.304 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.36 133.35 44.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 54.1 110.287 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.19 140.56 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 73.22 110.278 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -126.7 142.85 51.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 53.32 110.01 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.867 HG22 HG13 ' A' ' 37' ' ' ILE . 70.3 t -54.66 133.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 72.51 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.829 ' O ' HG22 ' A' ' 23' ' ' THR . 56.1 t -137.69 118.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 73.25 109.254 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.674 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -44.01 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 74.54 109.262 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -65.35 -11.82 45.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 70.12 109.322 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.518 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 33.9 m -155.58 170.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 63.03 109.317 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 50' ' ' PRO . 5.2 tp -64.5 101.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 51.41 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.674 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -95.53 111.1 54.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 75.51 109.274 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.775 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.06 173.17 14.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 73.34 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.476 HG23 ' ND2' ' A' ' 14' ' ' ASN . 9.0 tt -68.93 154.86 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 74.21 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.476 ' ND2' HG23 ' A' ' 13' ' ' ILE . 9.8 p30 40.89 53.32 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 70.22 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.775 HG21 ' HD2' ' A' ' 12' ' ' PRO . 23.2 m -122.96 119.57 30.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 53.44 110.402 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.15 128.76 25.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 65.24 109.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.604 ' CD2' HG21 ' A' ' 11' ' ' ILE . 59.6 mt -84.55 143.68 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 62.42 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CE ' ' A' ' 22' ' ' MET . 39.8 p -127.14 175.99 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.44 110.391 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -81.03 -15.43 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.55 109.322 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.86 10.68 55.85 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 43.14 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.443 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -113.99 -31.78 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 62.43 111.001 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' ' O ' ' A' ' 18' ' ' THR . 57.3 mtm -98.24 173.05 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 63.42 110.977 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 6' ' ' VAL . 5.2 t -163.35 169.45 19.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 74.43 110.4 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.54 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 67.4 p -112.05 128.45 56.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 75.14 110.377 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.2 142.46 18.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 74.45 110.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 t -75.56 82.55 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 62.11 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.668 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.32 160.15 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 74.4 109.316 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -130.62 136.3 28.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 51.42 109.986 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.07 153.45 99.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.011 -2.495 . . . . 61.13 110.989 0.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 p -64.59 116.89 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.41 110.417 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.67 -148.92 24.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 62.1 110.979 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 40' ' ' LEU . 82.5 mt -40.57 142.41 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 72.41 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 151.12 39.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 43.21 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.54 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.54 -13.9 45.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 74.41 109.334 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.87 -12.97 58.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.23 110.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.37 -5.58 46.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 73.53 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.867 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -53.66 -48.54 92.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 63.01 109.275 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -7.48 19.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 54.21 111.019 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 16.7 mtp-105 -97.41 -19.72 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 71.32 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 32' ' ' ILE . 24.3 mt -84.88 -23.87 28.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 61.54 109.244 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -55.37 136.28 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 42.03 109.301 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.36 -11.11 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 44.32 110.013 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.411 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.8 mtm -100.31 133.24 45.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 75.22 111.019 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -91.17 149.46 21.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 60.44 110.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.6 m -82.36 156.98 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 62.41 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.1 p30 -107.64 30.98 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 73.35 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.6 tt0 -177.06 156.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.32 110.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -74.78 96.65 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 65.01 109.326 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 11' ' ' ILE . 85.1 t -94.2 114.16 62.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 70.51 109.284 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.5 Cg_endo -74.93 163.35 35.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 55.34 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.518 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 33.0 ttm -66.18 118.55 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 75.32 111.024 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.79 -14.64 34.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 65.04 111.02 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -74.23 118.76 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 74.11 110.364 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.668 ' OG1' HG21 ' A' ' 27' ' ' VAL . 22.9 m -49.77 139.81 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.4 110.396 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.24 130.06 35.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 72.2 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.688 ' O ' HD11 ' A' ' 32' ' ' ILE . 15.5 mmt -110.91 157.34 38.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 65.43 110.957 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -23.56 13.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 71.23 111.024 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.81 14.52 26.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.3 109.291 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.1 mtm -116.34 7.0 13.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 71.22 110.986 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.668 HG21 HD22 ' A' ' 40' ' ' LEU . 39.8 t -128.01 137.8 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 63.04 109.31 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 15.3 mtmt -85.0 149.17 25.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 73.11 109.268 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.73 17.35 14.16 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 72.52 110.991 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.4 t80 -82.81 173.08 12.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 74.21 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.599 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.74 151.21 0.22 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.42 109.296 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.82 30.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 65.55 111.003 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 44.54 109.281 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.509 0.195 . . . . 72.21 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -82.35 88.97 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 72.13 109.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.7 133.61 44.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 70.11 110.271 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -78.0 139.1 39.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 74.23 110.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -124.77 143.9 50.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 74.12 110.021 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG11 HD23 ' A' ' 55' ' ' LEU . 59.4 t -54.72 136.38 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 55.24 109.329 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 4' ' ' SER . 75.5 t -139.22 127.29 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 62.22 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.683 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -53.54 99.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 74.5 109.314 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.23 -13.53 38.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 33.33 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.49 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 33.5 m -156.56 173.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.03 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.36 104.74 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 71.24 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.683 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -99.88 108.85 53.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 63.11 109.285 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.849 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.95 172.3 16.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 53.43 111.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.417 HG23 ' ND2' ' A' ' 14' ' ' ASN . 17.6 tt -67.43 155.11 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.53 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' ND2' HG23 ' A' ' 13' ' ' ILE . 11.2 p30 41.06 52.48 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 64.13 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.849 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.4 m -120.22 120.21 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 70.24 110.408 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.15 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 71.24 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 83.1 mt -85.22 140.31 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 70.55 109.311 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.471 ' O ' ' HE2' ' A' ' 22' ' ' MET . 13.1 p -127.73 172.19 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 74.12 110.368 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.14 -13.74 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 73.33 109.282 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.15 10.77 51.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 62.4 111.019 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -115.55 -33.71 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.764 . . . . 65.15 110.987 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.471 ' HE2' ' O ' ' A' ' 18' ' ' THR . 48.7 mtm -97.79 172.89 7.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 74.14 110.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.819 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -163.24 170.06 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 70.44 110.419 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.568 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 76.9 p -111.42 136.17 50.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 73.02 110.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.46 143.31 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 73.04 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -77.83 81.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 32.4 109.26 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.43 158.49 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 70.35 109.293 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.8 OUTLIER -127.38 135.9 28.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 75.04 109.989 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 153.46 99.18 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 120.977 -2.51 . . . . 72.21 111.023 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 p -67.4 121.17 15.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 72.42 110.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -98.0 -150.14 25.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 71.3 110.99 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.918 HD11 ' O ' ' A' ' 56' ' ' MET . 40.2 mt -41.92 142.35 1.14 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 72.23 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.694 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.78 34.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 73.43 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.69 -16.95 59.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 75.41 109.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.96 -3.18 37.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 63.13 110.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -110.53 -1.79 16.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 75.02 109.302 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.592 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -52.38 -48.23 90.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 73.1 109.335 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -6.01 17.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 73.53 111.027 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -97.56 -26.03 14.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 74.31 110.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD13 HD23 ' A' ' 55' ' ' LEU . 25.1 mt -77.5 -25.46 50.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 72.5 109.318 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.52 136.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 61.03 109.277 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.83 -11.18 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 73.53 109.984 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.91 129.88 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 73.44 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.91 156.81 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 74.34 110.301 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.8 m -89.95 153.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 73.44 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.1 p30 -105.92 32.29 4.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 32.32 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.8 tt0 -178.61 156.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 72.34 110.253 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -76.22 97.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 60.33 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 84.3 t -94.94 111.52 54.83 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 74.01 109.281 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 153.97 42.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 53.31 111.024 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 11.5 ttm -53.95 121.43 8.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 61.42 110.966 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.83 -15.52 48.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 51.44 111.033 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.451 HG21 ' HD2' ' A' ' 50' ' ' PRO . 38.6 m -73.93 114.2 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.777 . . . . 54.11 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.51 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.9 m -49.96 133.21 22.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.44 110.442 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 40' ' ' LEU . 6.6 tp -81.78 130.2 34.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 64.23 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.918 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.1 mmt -108.04 161.08 24.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 75.23 111.0 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.573 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -20.57 16.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 65.22 110.991 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.25 7.25 44.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 64.32 109.296 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 11.1 mtm -113.0 23.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 74.33 110.982 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 98.5 t -140.7 143.52 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 73.23 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.1 mttt -89.81 144.22 26.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 55.34 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.69 14.23 28.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.522 1.139 . . . . 63.33 110.995 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 21.7 t80 -77.07 172.09 13.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 72.14 111.024 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.641 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.28 150.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 62.44 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.25 3.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.789 . . . . 72.33 110.978 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 63.31 109.355 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 18.6 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.501 0.191 . . . . 45.31 111.021 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.89 88.34 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 71.4 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.427 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.73 133.51 45.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.01 110.288 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.67 133.68 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 55.42 110.278 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.88 144.69 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 73.14 109.969 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 55' ' ' LEU . 53.5 t -54.8 136.72 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 71.53 109.234 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 4' ' ' SER . 59.7 t -140.74 124.76 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 64.22 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.708 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.16 98.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 43.23 109.283 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.903 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.16 -13.64 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 71.03 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 ' C ' ' A' ' 8' ' ' ALA . 36.0 m -154.82 171.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 63.41 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.61 105.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 61.34 109.287 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.708 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -101.16 107.88 52.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 73.25 109.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.838 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 54.44 111.011 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 47' ' ' GLN . 2.5 tt -69.43 151.62 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 70.31 109.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.497 HD22 ' NZ ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER 47.9 48.02 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.43 109.314 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.838 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.4 m -119.27 118.56 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 74.33 110.358 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.58 130.28 31.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 74.11 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 ' CG1' ' A' ' 45' ' ' VAL . 80.5 mt -83.5 141.37 31.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 55.12 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' HE2' ' A' ' 22' ' ' MET . 11.5 p -129.4 171.71 12.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 65.01 110.368 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.25 -15.17 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 74.14 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.49 10.7 56.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.446 1.091 . . . . 54.2 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -116.34 -33.33 4.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 64.22 111.001 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.444 ' HE2' ' O ' ' A' ' 18' ' ' THR . 56.0 mtm -97.33 175.01 6.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.4 110.972 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.903 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -165.41 169.66 15.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 73.11 110.403 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.595 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.9 p -111.72 131.15 55.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 71.54 110.38 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.14 147.39 17.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 64.42 110.269 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 t -81.07 81.09 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 75.31 109.268 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.656 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.46 158.62 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 73.14 109.23 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.493 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.0 t -128.11 136.06 28.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.13 109.995 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.95 153.51 99.2 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.026 -2.489 . . . . 62.31 111.038 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.5 p -66.71 119.19 11.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 74.34 110.397 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' A' ' 56' ' ' MET . . . -96.13 -149.37 25.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 54.32 110.996 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.902 HD11 ' O ' ' A' ' 56' ' ' MET . 41.5 mt -42.01 142.31 1.18 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 63.1 109.259 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.695 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 148.57 35.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 71.04 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.595 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.35 -15.29 56.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 74.33 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.33 -6.75 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 75.51 110.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -106.22 -2.65 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 73.4 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.626 HG13 HG22 ' A' ' 5' ' ' VAL . 1.3 mt -52.49 -48.07 91.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 74.32 109.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.6 Cg_endo -74.95 -6.12 17.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.803 . . . . 73.04 111.053 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.759 HH21 ' HB2' ' A' ' 66' ' ' ALA . 2.8 mtp-105 -97.46 -27.67 14.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 75.35 110.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.792 HD13 HD23 ' A' ' 55' ' ' LEU . 23.8 mt -75.84 -24.68 55.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 75.42 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.1 mt -53.26 136.18 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 64.21 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.75 -11.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 51.11 110.011 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -100.61 128.75 46.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 73.24 111.053 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 15' ' ' THR . 14.3 mt-30 -86.43 158.14 19.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 61.14 110.292 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' CG1' HD21 ' A' ' 17' ' ' LEU . 19.6 m -89.69 152.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.41 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -105.07 32.64 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 65.23 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.9 tt0 -178.55 156.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 73.31 110.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.0 t -75.52 97.05 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 44.22 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' ILE . 94.9 t -96.04 112.63 60.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 70.54 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 158.11 42.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 53.32 110.989 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.9 ttp -59.62 119.23 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 74.1 111.033 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.8 -14.67 37.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 72.11 111.011 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.404 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 18.4 m -76.18 115.6 16.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 73.43 110.428 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.656 ' OG1' HG21 ' A' ' 27' ' ' VAL . 5.9 m -49.65 137.12 16.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.14 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 40' ' ' LEU . 6.4 tp -85.19 130.2 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 72.21 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.902 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -107.69 160.96 24.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 70.14 110.953 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.0 -20.82 16.48 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.452 1.764 . . . . 60.24 110.982 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.49 5.83 46.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 74.21 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.408 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 11.4 mtm -112.34 24.18 12.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 65.24 110.958 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 93.8 t -140.41 143.45 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.14 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 10.9 mtmt -89.06 146.28 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 73.52 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.38 16.44 15.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.493 1.12 . . . . 73.32 110.989 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 26.2 t80 -77.86 172.71 13.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 71.42 111.035 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.639 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 171.57 149.52 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 73.44 109.324 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.14 18.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 75.33 110.999 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.759 ' HB2' HH21 ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 65.55 109.303 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.523 0.201 . . . . 72.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -70.58 88.24 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 64.34 109.281 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.71 133.44 45.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 72.13 110.278 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -67.97 133.32 48.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 72.12 110.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.78 143.8 49.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 40.15 109.968 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.709 HG11 HD23 ' A' ' 55' ' ' LEU . 74.9 t -54.64 134.92 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 70.12 109.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.742 ' O ' HG22 ' A' ' 23' ' ' THR . 54.1 t -138.42 127.21 31.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.32 109.286 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.76 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -54.06 100.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 34.15 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.28 -13.58 39.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 74.53 109.313 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 8' ' ' ALA . 23.7 m -152.91 168.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 73.43 109.295 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.3 tp -63.97 94.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 71.2 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.76 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.61 113.74 52.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 73.45 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.96 173.1 15.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.519 1.799 . . . . 54.34 111.036 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.3 tt -72.61 152.6 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 65.21 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.405 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.6 m-80 46.74 48.37 14.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 72.31 109.293 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.668 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.5 m -121.66 121.25 36.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 74.24 110.406 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.19 136.16 43.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 72.11 109.328 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' CG1' ' A' ' 45' ' ' VAL . 81.2 mt -87.85 141.06 28.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 71.11 109.276 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.479 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.4 p -127.88 171.3 11.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.21 110.421 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -76.94 -14.67 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 73.14 109.324 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.18 10.72 55.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 64.33 111.024 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.445 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -115.95 -34.28 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 73.52 111.018 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.479 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.0 mtm -97.38 177.21 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 74.45 110.997 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -166.76 171.39 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 74.22 110.372 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.577 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.9 p -112.5 126.98 55.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 64.34 110.403 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.74 142.94 20.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 73.44 110.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -77.21 81.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 73.2 109.291 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.699 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.76 159.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 71.24 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.48 135.98 28.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 75.31 109.981 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -74.99 153.45 99.17 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.982 -2.507 . . . . 42.11 110.989 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 p -66.63 119.09 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 75.5 110.365 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.432 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.4 -149.9 26.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 33.13 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.904 HD11 ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.55 142.29 0.79 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 72.01 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.98 149.39 36.73 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 55.11 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.577 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.89 -15.54 59.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 65.54 109.321 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -78.58 -8.02 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 74.21 110.308 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -104.51 -1.77 26.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 75.21 109.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.648 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -52.45 -48.0 91.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 73.15 109.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.779 . . . . 74.31 110.974 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -97.51 -26.77 14.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 53.41 110.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.828 HD13 HD23 ' A' ' 55' ' ' LEU . 21.4 mt -76.85 -24.35 52.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 70.14 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.72 136.48 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 73.55 109.264 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.8 -11.23 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 71.22 109.99 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -98.86 128.57 45.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 74.23 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' THR . 19.1 mt-30 -86.03 157.42 20.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 73.24 110.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' CG1' HD21 ' A' ' 17' ' ' LEU . 24.5 m -92.14 151.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 52.41 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.5 ' HA ' ' HZ1' ' A' ' 61' ' ' LYS . 21.9 p30 -104.95 32.33 4.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 74.12 109.312 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.7 tt0 -178.57 156.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 73.31 110.28 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.433 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.9 t -77.81 103.54 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 71.33 109.34 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 53' ' ' THR . 93.0 t -97.25 114.09 64.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 60.3 109.284 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.459 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 141.01 26.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 71.11 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.421 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.6 ttm -45.68 119.69 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 73.33 111.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.76 -5.73 43.6 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.137 . . . . 72.22 111.003 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.459 HG21 ' HD2' ' A' ' 50' ' ' PRO . 14.4 m -83.64 116.94 22.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.74 . . . . 64.24 110.358 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.699 ' OG1' HG21 ' A' ' 27' ' ' VAL . 7.4 m -49.74 135.77 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 74.2 110.366 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 40' ' ' LEU . 6.6 tp -84.11 130.3 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 65.2 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.904 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.4 mmt -107.14 161.26 23.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 73.04 111.034 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.574 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.95 -20.6 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 63.43 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 7.08 44.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 63.42 109.283 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.3 mtm -111.71 23.89 13.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 64.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG12 ' HE3' ' A' ' 43' ' ' MET . 40.8 t -146.58 133.31 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 73.44 109.319 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HZ1' ' HA ' ' A' ' 46' ' ' ASN . 12.6 mttm -81.56 149.33 28.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.14 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.18 13.85 30.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 72.1 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.645 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.6 t80 -78.43 171.64 14.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 65.31 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.645 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 172.29 149.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 62.34 109.288 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -177.12 3.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.468 1.773 . . . . 73.55 111.01 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 62.32 109.279 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.528 0.204 . . . . 65.24 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -131.18 88.48 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 74.25 109.288 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.94 133.52 46.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 64.03 110.286 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -68.78 134.33 49.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 63.44 110.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -121.92 143.14 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.11 109.992 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.719 HG11 HD23 ' A' ' 55' ' ' LEU . 71.6 t -54.64 135.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 72.22 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 4' ' ' SER . 54.3 t -138.98 125.51 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 64.41 109.254 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.694 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.13 98.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.54 109.311 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.894 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.18 -13.58 38.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 72.34 109.302 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 35.1 m -155.47 173.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.24 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.31 104.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 72.21 109.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.694 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.29 108.56 53.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 63.12 109.303 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.867 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.95 172.7 15.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 71.24 111.025 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.7 tt -67.37 155.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 74.1 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.2 p30 40.54 51.75 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 61.14 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.867 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.2 m -118.79 118.86 32.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 74.45 110.351 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.6 125.97 14.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.01 109.289 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 75.6 mt -82.8 139.81 33.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 63.52 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.51 ' O ' ' HE2' ' A' ' 22' ' ' MET . 12.9 p -127.81 171.42 11.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 72.41 110.417 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -77.63 -12.96 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 70.35 109.322 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.62 10.71 49.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 73.11 111.001 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -115.61 -31.97 5.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 45.03 111.014 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 18' ' ' THR . 47.7 mtm -98.75 175.28 6.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 71.24 110.989 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.894 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.2 t -164.19 170.46 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 62.23 110.428 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.56 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 74.3 p -113.52 128.18 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 44.55 110.37 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.65 143.06 19.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 60.24 110.295 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.6 t -78.11 81.84 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 62.3 109.303 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.4 m -106.94 160.86 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 72.33 109.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -129.46 135.87 28.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 74.12 110.063 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.94 153.4 99.15 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.02 -2.492 . . . . 71.24 111.013 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 p -66.97 118.98 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 71.15 110.437 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.465 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.14 -149.06 25.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.132 . . . . 72.4 111.01 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.907 HD11 ' O ' ' A' ' 56' ' ' MET . 55.7 mt -41.58 142.46 1.02 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 73.2 109.329 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.02 150.58 38.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.454 1.765 . . . . 74.43 111.001 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.56 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.69 -12.92 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 71.4 109.274 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -80.7 -11.45 59.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 75.23 110.273 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.1 t70 -96.65 -5.83 38.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 73.13 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -51.24 -49.3 82.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.52 109.318 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -9.57 20.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 75.41 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 8.5 mtp-105 -97.23 -16.06 20.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 71.44 110.322 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.776 HD13 HD23 ' A' ' 55' ' ' LEU . 22.9 mt -88.48 -22.8 23.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 60.32 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -57.0 135.94 20.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 70.41 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 84.62 -11.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 32.15 109.969 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.2 132.65 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 71.1 110.979 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -92.2 145.85 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 72.43 110.276 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 9.3 m -77.7 155.9 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.14 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.3 p30 -106.31 31.92 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 65.23 109.265 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.4 tt0 -178.55 155.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.05 110.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.4 t -75.55 96.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 75.31 109.306 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 81.7 t -94.43 113.49 61.05 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 75.24 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.01 158.52 42.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.555 1.818 . . . . 74.33 111.0 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 32.3 ttm -60.02 121.3 11.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.41 111.009 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.07 -12.12 48.81 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 54.32 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.408 HG21 ' HD2' ' A' ' 50' ' ' PRO . 24.6 m -78.71 116.06 18.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 63.4 110.363 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.494 HG23 ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.77 137.55 16.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 74.4 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.776 HD23 HD13 ' A' ' 40' ' ' LEU . 5.8 tp -84.62 129.99 34.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 64.31 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.907 ' O ' HD11 ' A' ' 32' ' ' ILE . 11.6 mmt -108.12 159.42 30.67 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 71.03 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.572 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.97 -21.46 15.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 44.14 111.002 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.67 9.28 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 73.34 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.407 ' HE2' ' CG ' ' A' ' 56' ' ' MET . 13.2 mtm -116.36 15.33 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 51.04 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 62.1 t -131.51 139.31 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 70.33 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 20.3 mtmt -86.92 150.46 24.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 74.22 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 52.27 19.54 5.95 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 64.04 110.99 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.587 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 23.0 t80 -83.92 172.99 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 0.739 . . . . 75.25 111.036 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.7 148.89 0.16 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 70.23 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 176.4 9.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 71.1 111.03 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.597 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 63.4 109.293 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.484 0.183 . . . . 61.11 110.988 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -132.88 88.82 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 70.32 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.58 131.55 45.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 62.41 110.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.79 130.69 47.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 72.43 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -119.23 143.97 47.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 70.24 110.012 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.892 HG22 HG13 ' A' ' 37' ' ' ILE . 72.3 t -54.6 134.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 61.4 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 27' ' ' VAL . 53.0 t -137.78 121.09 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.33 109.311 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.589 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -45.37 102.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 72.51 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.829 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -67.61 -10.41 51.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 44.42 109.343 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.6 m -157.75 169.86 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.5 109.338 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' ' HB2' ' A' ' 51' ' ' MET . 4.0 tp -64.89 93.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 71.13 109.33 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.589 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -84.18 114.07 52.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 64.51 109.266 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.917 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 71.33 110.99 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 47' ' ' GLN . 6.7 tt -70.55 152.64 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 74.21 109.273 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 42.92 53.4 5.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.01 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.621 HG21 ' HD2' ' A' ' 12' ' ' PRO . 34.2 m -123.8 126.5 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 63.21 110.382 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.52 130.82 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 53.13 109.323 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 11' ' ' ILE . 64.8 mt -83.5 142.12 31.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 64.34 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.0 p -127.74 170.82 12.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 64.42 110.427 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.96 -13.55 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 73.33 109.304 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.82 52.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 44.23 111.062 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.581 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -115.57 -33.8 5.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.775 . . . . 74.44 111.002 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.433 ' HE2' ' O ' ' A' ' 18' ' ' THR . 46.9 mtm -97.76 169.76 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 61.52 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.829 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -158.94 170.08 22.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 74.45 110.395 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.542 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 82.3 p -111.56 130.27 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.4 110.355 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.9 145.49 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.54 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -79.99 82.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.22 109.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.686 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.52 158.78 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 60.43 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.2 t -127.79 135.99 28.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 73.04 109.955 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.3 99.09 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.947 -2.522 . . . . 74.2 111.039 -0.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 p -65.82 117.77 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 52.11 110.395 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.8 -149.08 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 71.01 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.78 HG21 HD11 ' A' ' 40' ' ' LEU . 93.3 mt -40.77 142.49 0.8 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 74.01 109.293 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 150.89 39.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 74.1 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.542 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.62 -13.36 41.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.23 109.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.9 -13.91 56.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 53.21 110.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.21 -6.09 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 64.24 109.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.892 HG13 HG22 ' A' ' 5' ' ' VAL . 1.0 OUTLIER -52.8 -48.68 90.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 75.31 109.32 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -7.77 19.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 70.11 111.008 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 14.0 mtp-105 -97.58 -17.34 19.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.25 110.274 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 32' ' ' ILE . 14.4 mt -87.73 -23.55 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 74.32 109.301 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -56.16 136.28 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.175 . . . . 75.31 109.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.27 -10.95 0.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 55.1 110.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.407 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.5 mtm -99.38 131.81 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.25 111.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -86.54 149.9 24.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 73.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.2 m -89.71 145.97 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 43.23 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.464 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 27.4 p30 -92.28 25.02 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 71.44 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.645 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.2 tt0 -175.05 148.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 72.42 110.298 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.917 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.5 p -77.94 96.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 42.43 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' ILE . 59.8 t -83.71 121.08 76.1 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 72.35 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.32 26.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.789 . . . . 74.41 110.951 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.409 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 45.0 ttp -47.59 119.83 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 74.1 110.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.03 -9.73 39.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 53.41 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.493 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 23.4 m -82.49 122.22 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 55.1 110.44 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.686 ' OG1' HG21 ' A' ' 27' ' ' VAL . 9.1 m -52.72 139.88 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 54.44 110.416 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.694 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -82.69 127.44 33.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 75.14 109.291 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.62 ' O ' HD11 ' A' ' 32' ' ' ILE . 18.8 mmt -107.5 157.38 35.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 74.22 111.015 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.6 Cg_endo -74.96 -26.99 10.48 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 52.14 111.06 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.47 17.17 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 75.31 109.292 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.06 7.73 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 72.22 110.966 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 40' ' ' LEU . 60.3 t -128.45 135.23 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 60.31 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 13.1 mtmt -83.73 147.62 27.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 74.23 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.14 15.47 22.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 72.23 111.003 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.3 t80 -81.96 173.24 12.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 74.14 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.94 150.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 64.01 109.318 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 168.08 25.59 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 70.42 110.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 63.23 109.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.5 ttt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.57 0.224 . . . . 73.31 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -117.71 88.64 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 52.44 109.305 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -102.06 133.42 46.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 74.35 110.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.31 137.54 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 74.24 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.501 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -124.32 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.1 109.967 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.657 HG22 HG13 ' A' ' 37' ' ' ILE . 74.9 t -54.59 134.93 17.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 74.5 109.341 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.827 ' O ' HG22 ' A' ' 23' ' ' THR . 61.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 63.53 109.3 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.713 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -47.45 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 71.45 109.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.768 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -64.53 -12.34 43.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 72.33 109.297 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.444 HG13 ' C ' ' A' ' 8' ' ' ALA . 26.6 m -153.57 170.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 70.43 109.316 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.3 tp -64.46 103.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 71.23 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.713 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -99.01 109.56 54.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 75.22 109.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.891 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.01 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 73.33 111.023 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.9 tt -67.17 156.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 35.14 109.359 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 40.65 51.26 3.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 52.03 109.259 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.891 HG21 ' HD2' ' A' ' 12' ' ' PRO . 54.4 m -119.96 118.6 31.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 54.34 110.407 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.38 127.35 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 75.22 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.576 ' CD2' HG21 ' A' ' 11' ' ' ILE . 73.3 mt -84.16 139.8 32.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 73.13 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.529 ' O ' ' HE2' ' A' ' 22' ' ' MET . 30.0 p -125.51 172.64 9.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 71.34 110.402 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.83 -13.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.35 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.75 10.69 49.2 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 71.43 111.02 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.4 mtm -114.88 -31.67 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 0.73 . . . . 73.5 110.991 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.529 ' HE2' ' O ' ' A' ' 18' ' ' THR . 50.0 mtm -99.13 177.09 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 42.12 111.005 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.827 HG22 ' O ' ' A' ' 6' ' ' VAL . 6.2 t -167.46 170.59 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 71.54 110.387 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.564 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.4 p -112.8 128.07 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 71.21 110.431 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.34 141.69 17.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 73.43 110.295 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.93 81.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 71.35 109.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -107.21 161.07 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 64.13 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.93 135.97 28.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 71.23 110.018 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.53 99.22 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.981 -2.508 . . . . 75.1 111.0 0.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 p -67.84 119.15 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.4 110.353 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.78 -150.22 26.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 63.22 110.97 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.832 HD11 ' O ' ' A' ' 56' ' ' MET . 93.6 mt -40.29 142.61 0.72 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 61.02 109.273 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.94 150.47 38.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 55.43 111.03 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.564 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.47 -13.27 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 43.54 109.284 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -80.15 -9.47 59.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 53.13 110.283 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.6 t70 -100.26 -4.81 28.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 63.11 109.301 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -52.31 -48.9 87.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 73.01 109.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.25 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.454 1.765 . . . . 62.34 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 8.5 mtp-105 -97.45 -23.14 16.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 73.15 110.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD13 HD23 ' A' ' 55' ' ' LEU . 25.0 mt -80.11 -23.04 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 63.13 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.7 mt -56.42 135.57 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 73.34 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.82 -11.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 75.53 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.04 132.43 45.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 52.52 110.985 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -93.49 148.89 21.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 52.51 110.289 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 7.3 m -78.63 151.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 73.44 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 20.5 p30 -102.74 30.35 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 73.42 109.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 13' ' ' ILE . 7.5 tt0 -177.75 159.81 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 70.22 110.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.5 t -78.57 108.61 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 51.15 109.29 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -111.1 118.77 47.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 63.34 109.315 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.527 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 165.67 30.84 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 73.54 111.021 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.81 121.61 15.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 74.42 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.82 -17.23 39.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 72.21 110.967 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.414 ' HB ' HG23 ' A' ' 49' ' ' VAL . 3.1 m -72.23 115.67 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 71.34 110.386 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.603 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.4 m -49.44 132.52 20.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 74.05 110.434 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 40' ' ' LEU . 7.4 tp -79.82 132.69 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.32 109.303 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.832 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.5 mmt -108.59 161.72 22.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 74.21 111.037 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.579 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -24.7 12.58 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 75.12 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.91 10.07 40.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 50.22 109.288 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 6.4 mtm -113.03 16.22 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 64.22 111.036 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG21 HD22 ' A' ' 40' ' ' LEU . 20.5 t -137.82 141.88 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 51.1 109.278 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 57.4 mttt -89.04 150.77 22.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 70.44 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.81 18.65 11.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 65.15 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 16.5 t80 -84.21 172.94 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 0.772 . . . . 70.14 111.001 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.6 150.44 0.17 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 31.43 109.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 173.12 15.06 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 72.23 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 63.42 109.302 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.1 ttm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.516 0.198 . . . . 72.21 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -135.61 92.42 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.53 109.31 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.47 130.53 49.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 63.35 110.339 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -67.46 131.27 45.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 71.34 110.29 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -116.35 145.14 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 72.51 109.968 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.712 HG22 HG13 ' A' ' 37' ' ' ILE . 60.1 t -55.19 135.48 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 72.15 109.329 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 4' ' ' SER . 76.0 t -137.11 120.85 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 54.21 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.694 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.67 98.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 73.22 109.31 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.748 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.11 -13.62 38.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 70.34 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 8' ' ' ALA . 18.8 m -152.35 169.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 63.03 109.276 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.2 tp -64.31 101.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 71.4 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.694 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -96.94 110.65 54.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 73.23 109.274 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.814 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.05 173.26 14.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.44 1.758 . . . . 71.14 111.02 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.721 HD12 ' HA ' ' A' ' 47' ' ' GLN . 15.6 tt -68.59 154.19 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 71.3 109.334 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 42.93 50.83 5.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.33 109.26 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.814 HG21 ' HD2' ' A' ' 12' ' ' PRO . 41.3 m -121.4 118.23 28.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 53.15 110.359 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.48 129.27 21.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 65.25 109.346 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' A' ' 11' ' ' ILE . 68.2 mt -86.03 140.65 30.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 44.15 109.337 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.455 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -127.38 169.79 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 72.34 110.377 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -75.72 -13.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 73.43 109.259 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.73 10.65 56.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 75.04 111.034 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.8 mtm -117.02 -33.81 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 64.42 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.455 ' HE2' ' O ' ' A' ' 18' ' ' THR . 47.8 mtm -97.53 178.64 5.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 74.55 110.96 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.748 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -167.74 175.65 6.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.33 110.412 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.528 ' CG2' HD12 ' A' ' 37' ' ' ILE . 68.9 p -116.15 136.01 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 74.42 110.437 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.47 140.72 3.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 72.2 110.317 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.1 t -77.73 82.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.31 109.294 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.8 m -106.59 163.36 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.31 109.272 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -129.58 135.22 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 71.3 109.986 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.69 99.3 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.966 -2.514 . . . . 72.55 111.009 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.5 p -69.59 118.31 12.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 64.53 110.36 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.72 -150.41 26.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 71.12 110.961 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.799 HD11 ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.46 142.64 0.74 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 73.35 109.277 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.709 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.94 38.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 70.33 110.987 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.28 -13.42 38.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 52.34 109.318 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -79.66 -8.57 59.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 72.34 110.251 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -101.84 -4.9 25.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 61.11 109.339 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.712 HG13 HG22 ' A' ' 5' ' ' VAL . 1.2 mt -52.34 -48.94 87.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 63.33 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -8.02 19.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.444 1.76 . . . . 63.32 111.02 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.68 ' NH2' ' HB2' ' A' ' 66' ' ' ALA . 8.8 mtp-105 -97.37 -24.05 15.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 71.32 110.264 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.877 HD13 HD23 ' A' ' 55' ' ' LEU . 19.1 mt -79.21 -23.15 44.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 64.41 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.5 mt -56.69 135.62 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 71.24 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 t 84.7 -10.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.25 110.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mtm -100.5 131.57 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 73.21 110.984 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -92.27 146.37 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 74.45 110.296 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.6 m -75.39 155.56 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.14 109.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 22.5 p30 -105.38 29.86 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 61.35 109.331 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.721 ' HA ' HD12 ' A' ' 13' ' ' ILE . 7.2 tt0 -178.55 159.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 72.33 110.324 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.4 t -77.99 109.05 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 72.32 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -111.21 119.48 45.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 73.3 109.324 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.526 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 164.38 33.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 63.31 111.037 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.6 ttp -66.15 121.58 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 74.13 110.967 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.94 -16.97 38.97 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 73.3 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.418 ' HB ' HG23 ' A' ' 49' ' ' VAL . 3.4 m -73.42 115.86 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 73.25 110.398 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.591 ' OG1' HG21 ' A' ' 27' ' ' VAL . 2.9 m -49.51 135.01 18.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 65.43 110.402 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.877 HD23 HD13 ' A' ' 40' ' ' LEU . 7.4 tp -81.73 131.76 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 74.35 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.799 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.3 mmt -106.63 161.96 21.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 73.13 111.011 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.98 -24.07 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.467 1.772 . . . . 74.33 111.008 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.78 6.87 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.35 109.334 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.6 mtm -110.9 16.77 21.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 72.54 110.928 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.494 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 24.8 t -137.57 138.56 44.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 71.23 109.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 56.0 mttt -85.57 152.3 23.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.35 109.271 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.15 20.57 4.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 75.02 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.604 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 11.9 t80 -84.66 173.01 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 0.765 . . . . 74.32 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.604 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.46 150.23 0.16 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 71.33 109.33 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.82 28.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 74.22 110.987 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.68 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 72.42 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.475 0.179 . . . . 70.41 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -91.01 93.69 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 61.42 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.5 129.81 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 73.41 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.76 132.08 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.51 110.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.79 142.86 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 74.11 109.959 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.877 HG22 HG13 ' A' ' 37' ' ' ILE . 71.1 t -54.57 136.36 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 64.03 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 4' ' ' SER . 52.0 t -138.98 119.8 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 75.12 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -43.83 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 65.01 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -66.95 -11.2 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 70.22 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.4 m -157.69 170.52 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 71.01 109.32 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.43 92.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 70.45 109.34 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.575 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -82.36 114.14 49.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 51.44 109.276 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.903 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 60.2 111.025 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 tt -70.51 153.65 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.13 109.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 41.14 54.41 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 53.11 109.285 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.612 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -123.59 128.86 50.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 70.42 110.384 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.73 131.62 51.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 64.24 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 45' ' ' VAL . 77.4 mt -84.87 140.49 31.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 74.12 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.474 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.3 p -125.78 173.8 8.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 75.31 110.37 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -79.98 -14.37 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 72.43 109.287 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.29 10.58 54.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 33.21 111.016 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.596 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -114.41 -32.43 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.755 . . . . 43.13 111.006 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE2' ' O ' ' A' ' 18' ' ' THR . 62.6 mtm -97.73 168.82 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 75.04 111.022 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.819 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -158.65 166.44 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 73.25 110.427 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.535 HG22 HD12 ' A' ' 37' ' ' ILE . 23.9 p -109.22 134.95 51.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 74.4 110.4 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.24 143.95 7.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 75.22 110.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.65 81.68 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 44.12 109.295 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.3 m -106.32 157.58 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 63.11 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.505 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -125.66 135.59 27.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 75.02 110.043 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 153.06 98.9 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 74.23 111.022 0.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -69.65 118.82 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.02 110.419 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.26 -146.66 21.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 52.4 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.806 HD11 ' O ' ' A' ' 56' ' ' MET . 69.9 mt -42.76 142.67 1.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 65.12 109.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 150.91 38.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 75.31 110.982 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -12.61 39.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 64.44 109.324 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.79 -11.51 59.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 73.21 110.287 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.05 -4.91 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 75.14 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.877 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -53.27 -48.66 91.6 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 64.35 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -7.67 19.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 42.54 111.01 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp-105 -97.39 -20.18 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 74.03 110.313 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD11 HG21 ' A' ' 32' ' ' ILE . 29.8 mt -83.43 -24.52 31.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 73.42 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.8 mt -56.52 135.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 73.44 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.41 -10.98 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 65.2 109.96 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -99.78 130.56 45.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 51.03 111.045 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' THR . 30.6 mt-30 -84.38 153.14 23.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 73.41 110.298 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.2 m -93.95 144.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 74.43 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 25.6 p30 -92.83 28.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 63.52 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -178.57 148.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 72.15 110.311 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.903 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -78.47 96.44 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.01 109.349 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' ILE . 58.5 t -83.55 121.33 76.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 75.24 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.74 25.85 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 50.25 111.027 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.3 ttp -47.26 120.29 3.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 61.42 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.42 -9.66 41.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 42.23 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.476 ' HB ' ' CG1' ' A' ' 49' ' ' VAL . 22.9 m -82.62 121.53 26.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 61.32 110.415 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.483 HG23 ' CG2' ' A' ' 27' ' ' VAL . 2.9 m -51.32 139.86 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.32 110.389 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.713 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -83.17 125.77 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 65.15 109.294 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.806 ' O ' HD11 ' A' ' 32' ' ' ILE . 14.5 mmt -105.61 156.75 35.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 71.51 111.005 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -27.67 9.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 72.33 111.0 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -93.39 17.07 11.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 70.32 109.303 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.2 mtm -119.95 11.95 11.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 61.12 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.505 HG21 HD22 ' A' ' 40' ' ' LEU . 55.4 t -133.47 137.1 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 54.32 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 46.4 mttt -86.19 146.12 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 72.32 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.89 13.79 34.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 64.32 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.602 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 13.0 t80 -81.15 173.23 12.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 74.04 110.988 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.69 150.52 0.2 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 72.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 164.0 34.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.808 . . . . 73.55 110.992 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.12 109.31 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.4 ptt? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.52 0.2 . . . . 71.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -95.09 88.44 5.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 73.52 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.25 133.5 45.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 73.32 110.326 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.63 131.23 42.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.03 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -119.12 141.75 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 71.33 110.016 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 37' ' ' ILE . 69.2 t -54.55 134.66 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 70.22 109.33 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.979 ' O ' HG22 ' A' ' 23' ' ' THR . 56.1 t -138.59 119.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 65.41 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.747 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.23 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.42 109.296 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.87 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.17 -13.59 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 72.34 109.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 8' ' ' ALA . 27.9 m -153.44 170.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 74.45 109.264 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.2 tp -62.7 104.79 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 42.15 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.747 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.14 108.57 52.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 73.54 109.272 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.822 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.96 172.71 15.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 71.14 110.97 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 47' ' ' GLN . 12.8 tt -67.96 155.92 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 71.14 109.323 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 40.25 51.7 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 73.55 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.822 HG21 ' HD2' ' A' ' 12' ' ' PRO . 39.9 m -120.31 120.25 35.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 71.31 110.423 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.66 129.82 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 75.33 109.286 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 11' ' ' ILE . 80.4 mt -85.81 140.37 30.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 65.1 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.527 ' O ' ' HE2' ' A' ' 22' ' ' MET . 13.6 p -127.43 173.71 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 64.23 110.397 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.37 -14.15 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.31 109.327 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.92 10.75 52.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 70.21 111.02 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -114.71 -31.45 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 72.53 110.999 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.527 ' HE2' ' O ' ' A' ' 18' ' ' THR . 52.5 mtm -99.81 173.72 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 74.54 111.023 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.979 HG22 ' O ' ' A' ' 6' ' ' VAL . 12.1 t -162.67 169.21 20.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 70.24 110.378 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.621 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 81.5 p -112.96 126.11 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 60.42 110.41 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -151.79 145.41 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 73.31 110.293 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.76 79.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 74.54 109.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 54' ' ' THR . 3.1 m -106.53 158.0 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 64.33 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 7.8 t -128.59 135.93 28.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 61.21 110.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 154.13 99.53 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.057 -2.476 . . . . 65.24 110.965 0.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.6 p -71.15 118.94 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 64.4 110.419 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' CA ' ' CE ' ' A' ' 56' ' ' MET . . . -95.01 -144.31 16.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 74.53 110.986 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.847 HD11 ' O ' ' A' ' 56' ' ' MET . 95.1 mt -43.07 140.71 1.91 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 62.4 109.34 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 148.09 34.59 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 72.51 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.621 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.13 -12.92 44.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 44.24 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.55 -9.91 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 33.25 110.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.88 -0.68 33.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.4 109.285 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.559 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.0 OUTLIER -52.61 -48.82 89.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 73.31 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -7.9 19.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 74.12 111.007 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 mtp-105 -97.6 -18.16 19.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 62.01 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 32' ' ' ILE . 11.5 mt -86.35 -23.76 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 64.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.96 136.28 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 72.02 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.73 -11.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 72.1 110.007 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.442 ' HE3' HG12 ' A' ' 60' ' ' VAL . 2.9 mtm -98.24 134.47 41.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 72.11 111.03 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -93.72 149.21 21.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 75.24 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.5 m -82.85 155.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 65.23 109.283 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.2 p30 -106.46 32.71 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.2 109.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.5 tt0 -178.41 156.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 63.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.1 t -76.43 96.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 64.14 109.289 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 89.7 t -94.8 116.15 66.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 61.24 109.285 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.04 162.81 36.41 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 74.34 110.964 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.12 118.02 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.11 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.87 -13.41 34.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 50.23 110.982 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -77.34 117.94 19.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 73.04 110.409 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 27' ' ' VAL . 3.2 m -49.83 139.35 13.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 73.41 110.386 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD23 HD13 ' A' ' 40' ' ' LEU . 6.7 tp -87.02 132.83 33.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 41.24 109.309 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.847 ' O ' HD11 ' A' ' 32' ' ' ILE . 18.7 mmt -109.07 159.52 30.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 75.54 111.05 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.0 -16.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 75.21 110.99 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -103.81 7.64 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 74.52 109.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -110.67 11.31 22.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 70.03 111.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG12 ' HE3' ' A' ' 43' ' ' MET . 30.5 t -133.39 135.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 61.42 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 10.0 mttm -83.91 150.84 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 71.04 109.31 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.95 17.08 14.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.143 . . . . 73.44 110.989 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 18.0 t80 -81.25 173.16 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 75.43 110.968 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.48 149.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 54.32 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.75 42.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 73.22 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.408 ' CB ' ' NE ' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 71.44 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.485 0.183 . . . . 64.03 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -138.9 93.0 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.32 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.67 129.49 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 73.3 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -65.75 133.14 50.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 74.31 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.88 144.59 46.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.42 110.011 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.882 HG22 HG13 ' A' ' 37' ' ' ILE . 68.9 t -54.56 135.82 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 71.23 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.893 ' O ' HG22 ' A' ' 23' ' ' THR . 52.8 t -139.79 118.81 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 75.24 109.29 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.764 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.42 99.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 62.11 109.253 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.863 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.1 -13.45 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 70.01 109.286 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 8' ' ' ALA . 24.8 m -154.19 171.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 75.1 109.255 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tp -62.84 105.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 71.05 109.273 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.764 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.24 108.61 53.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 75.1 109.289 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.846 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 173.11 15.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 73.1 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.0 tt -67.86 155.11 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 74.31 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 41.16 51.41 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 75.13 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.846 HG21 ' HD2' ' A' ' 12' ' ' PRO . 58.3 m -119.45 118.34 30.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 51.01 110.406 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.83 127.73 19.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.03 109.275 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' HA ' ' CE ' ' A' ' 21' ' ' MET . 85.1 mt -82.5 138.56 34.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.42 109.273 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 p -127.46 168.42 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 74.14 110.418 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.8 p -75.03 -13.64 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.11 109.353 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.34 10.78 54.45 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.122 . . . . 15.44 110.973 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.02 -33.5 4.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 62.11 111.03 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.9 mtm -97.8 175.57 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 63.33 110.975 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 6' ' ' VAL . 7.1 t -164.89 171.24 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 74.54 110.432 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.683 ' CG2' HD12 ' A' ' 37' ' ' ILE . 70.1 p -113.01 127.94 56.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 72.45 110.406 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.78 140.2 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 75.54 110.272 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.35 82.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 62.55 109.278 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.5 m -106.55 161.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 73.23 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 8.3 t -128.43 135.44 27.56 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 61.43 110.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 153.26 99.07 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.983 -2.507 . . . . 75.24 110.987 -0.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.4 p -67.51 119.03 11.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 63.31 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.529 ' HA2' ' HE2' ' A' ' 56' ' ' MET . . . -97.08 -148.98 24.91 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 75.33 111.024 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.868 HD11 ' O ' ' A' ' 56' ' ' MET . 73.3 mt -41.1 142.56 0.86 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 63.01 109.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.01 149.73 37.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 32.15 110.998 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.591 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.31 -12.75 44.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 65.33 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.99 -10.06 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 65.22 110.341 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' LEU . 1.2 m-20 -100.34 -6.7 25.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 75.31 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.882 HG13 HG22 ' A' ' 5' ' ' VAL . 1.5 mt -51.95 -48.27 88.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 64.52 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.02 -8.1 19.74 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 62.11 110.984 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -97.93 -24.72 15.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 71.41 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD13 HD23 ' A' ' 55' ' ' LEU . 11.5 mt -77.49 -20.9 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 75.43 109.3 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.2 mm -54.84 134.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 75.32 109.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 3.3 t 85.03 -11.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 73.12 109.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -98.22 131.09 44.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.32 111.029 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.93 156.17 18.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 71.44 110.29 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 19.1 m -88.37 154.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 53.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.5 p30 -105.35 32.87 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 71.52 109.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 6.3 tt0 -178.5 155.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 73.35 110.297 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 48' ' ' VAL . 3.3 t -76.3 96.78 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 72.13 109.307 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.0 t -94.76 115.63 65.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 71.14 109.26 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.72 41.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 65.11 110.989 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 62.8 ttp -61.39 119.98 9.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 53.05 111.014 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.33 -14.29 39.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 52.44 111.008 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 m -77.6 116.68 18.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 52.12 110.395 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.659 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.2 m -49.71 141.04 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 71.3 110.432 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD23 HD13 ' A' ' 40' ' ' LEU . 6.8 tp -87.96 130.27 34.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.4 109.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.868 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.4 mmt -106.38 161.16 23.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 65.32 111.021 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.576 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.96 -22.92 14.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.788 . . . . 72.5 111.031 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -98.24 8.74 44.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 64.23 109.324 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.9 mtm -113.92 15.74 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 74.5 110.984 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG12 ' HE3' ' A' ' 43' ' ' MET . 48.3 t -135.73 137.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 62.43 109.266 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 50.2 mttt -86.68 149.95 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 63.13 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.49 17.8 13.8 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 64.35 110.988 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 16.3 t80 -83.36 173.25 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 75.04 110.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.37 149.87 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 62.13 109.284 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.63 2.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 52.42 111.023 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 51.23 109.303 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.0 tpt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.494 0.188 . . . . 74.33 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -146.15 92.76 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 74.33 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.43 129.67 47.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 62.42 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -64.43 131.66 47.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 64.31 110.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -115.97 145.76 42.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 43.43 109.998 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 37' ' ' ILE . 67.7 t -56.42 135.28 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 35.31 109.331 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 4' ' ' SER . 58.2 t -137.26 123.32 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 74.03 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.632 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.63 102.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 55.23 109.316 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.813 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -67.3 -9.72 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 64.54 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 8' ' ' ALA . 29.8 m -157.09 171.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 64.14 109.328 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.8 tp -65.36 103.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 75.23 109.34 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.632 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -99.26 109.05 53.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 70.44 109.35 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.872 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.97 173.37 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 54.22 111.035 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 47' ' ' GLN . 15.0 tt -67.72 154.88 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 71.15 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 42.3 50.68 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 74.14 109.301 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.872 HG21 ' HD2' ' A' ' 12' ' ' PRO . 54.7 m -120.36 117.47 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 51.34 110.37 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.13 129.17 20.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 43.11 109.282 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.542 ' CD2' HG21 ' A' ' 11' ' ' ILE . 71.5 mt -84.98 139.93 31.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 72.2 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.446 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -126.92 170.33 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 73.42 110.421 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -76.46 -13.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 75.24 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 10.73 55.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 72.02 111.031 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 1.2 mtm -116.51 -32.8 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 64.12 111.029 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.446 ' HE2' ' O ' ' A' ' 18' ' ' THR . 53.2 mtm -98.28 177.21 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 72.54 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.813 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -167.37 171.45 10.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 72.43 110.42 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.572 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 71.2 p -112.64 137.18 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 72.4 110.354 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.87 144.51 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 71.33 110.296 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.62 82.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 63.31 109.275 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.596 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.5 m -106.6 162.02 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 50.23 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -129.71 135.55 27.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 53.21 110.009 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.02 153.74 99.29 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.994 -2.503 . . . . 72.21 110.971 0.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -68.88 118.78 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 70.31 110.43 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' HE1' ' A' ' 56' ' ' MET . . . -96.39 -150.24 26.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 53.23 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.82 HD11 ' O ' ' A' ' 56' ' ' MET . 79.6 mt -41.41 142.46 0.97 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 72.42 109.335 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 147.95 34.57 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.779 . . . . 45.25 111.012 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.572 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -62.13 -15.36 45.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 65.44 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.71 -1.99 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 60.01 110.292 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -110.71 -0.7 17.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 73.25 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 5' ' ' VAL . 1.4 mt -53.27 -48.42 92.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 75.32 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -7.55 19.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 62.11 110.98 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.3 mtp-105 -97.62 -19.14 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 74.52 110.277 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.769 HD13 HD23 ' A' ' 55' ' ' LEU . 13.5 mt -85.07 -24.36 28.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 75.23 109.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.18 135.99 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 73.24 109.307 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.79 -11.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 75.2 109.975 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.411 ' HE3' HG12 ' A' ' 60' ' ' VAL . 2.9 mtm -99.43 129.17 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 63.23 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' THR . 18.2 mt-30 -90.24 147.59 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 72.35 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -77.21 153.39 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 72.21 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 22.0 p30 -103.67 30.65 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 65.23 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 13' ' ' ILE . 7.5 tt0 -178.63 159.77 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 50.45 110.336 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.79 107.95 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 74.33 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.8 116.91 51.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 73.25 109.275 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.08 165.67 30.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 54.14 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.7 ttm -65.93 124.34 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 64.24 111.027 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.56 51.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 64.3 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.437 ' HB ' HG23 ' A' ' 49' ' ' VAL . 7.5 m -76.12 114.91 15.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 61.12 110.38 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.596 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.7 m -49.53 134.93 18.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 74.31 110.405 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.769 HD23 HD13 ' A' ' 40' ' ' LEU . 7.6 tp -80.81 130.91 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 75.03 109.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.82 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.8 mmt -106.44 161.93 21.29 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 73.42 111.034 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.577 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -23.92 13.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.477 1.777 . . . . 65.23 111.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.34 7.65 46.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 60.42 109.297 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -111.94 20.34 17.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 72.54 110.979 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.493 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 21.4 t -142.99 137.89 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 61.52 109.276 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 59.5 mttt -86.52 151.06 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 73.41 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.39 17.72 12.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 70.25 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 14.8 t80 -82.79 173.25 12.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.76 . . . . 71.11 111.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 171.52 150.4 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 53.14 109.318 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.93 5.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 74.15 110.978 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 44.12 109.29 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.453 0.168 . . . . 60.4 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.23 88.66 2.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 74.41 109.32 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.92 133.6 45.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 73.34 110.348 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.84 134.06 48.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.03 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -121.77 144.5 48.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 63.41 109.972 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.645 HG11 HD23 ' A' ' 55' ' ' LEU . 77.0 t -54.65 134.3 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 74.55 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 23' ' ' THR . 64.2 t -137.35 124.11 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 62.42 109.308 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.635 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -48.95 100.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 50.22 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.8 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.86 -13.07 41.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 70.44 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.4 m -156.12 172.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 71.03 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 tp -66.14 92.94 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 71.4 109.256 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.635 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -83.59 114.06 51.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 64.2 109.322 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.901 ' HA ' HG23 ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.03 171.65 17.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.762 . . . . 73.44 110.947 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.409 HG12 ' ND2' ' A' ' 14' ' ' ASN . 19.5 tt -71.89 153.73 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 63.1 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 m120 44.2 50.18 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 43.41 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.633 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -121.04 128.24 52.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 50.33 110.44 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -58.3 135.49 57.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 53.33 109.337 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.65 HD21 ' CG1' ' A' ' 45' ' ' VAL . 82.1 mt -87.17 137.51 32.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 71.52 109.333 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.476 ' O ' ' HE2' ' A' ' 22' ' ' MET . 15.0 p -125.45 171.52 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 75.44 110.347 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.02 -13.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 71.04 109.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.73 10.47 52.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 32.3 111.029 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.511 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.5 mtm -115.07 -33.58 5.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 73.15 111.035 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.476 ' HE2' ' O ' ' A' ' 18' ' ' THR . 46.3 mtm -98.12 172.61 7.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 71.31 111.0 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.8 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 4.9 t -162.56 170.84 17.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 73.41 110.426 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.606 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 74.4 p -113.42 128.97 56.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 72.43 110.368 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.43 140.25 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 75.13 110.316 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.43 80.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 75.21 109.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.631 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.4 m -106.31 159.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 44.33 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.499 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.53 135.87 28.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 73.43 109.985 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 153.63 99.27 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.007 -2.497 . . . . 73.32 110.979 -0.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 p -69.1 119.51 13.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 54.14 110.391 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.66 -148.18 23.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 74.22 111.019 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.866 HD11 ' O ' ' A' ' 56' ' ' MET . 58.3 mt -41.66 142.42 1.05 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.774 . . . . 72.24 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 148.97 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 71.24 111.026 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.606 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -64.74 -14.51 59.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 71.14 109.317 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.87 -7.99 58.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.54 110.31 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.91 -2.07 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 71.24 109.291 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.612 HG13 HG22 ' A' ' 5' ' ' VAL . 1.2 mt -52.26 -48.27 89.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 72.03 109.323 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.03 -6.28 17.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 75.24 111.01 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtp-105 -97.44 -24.71 15.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 75.43 110.31 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD11 HG21 ' A' ' 32' ' ' ILE . 25.9 mt -79.45 -23.97 42.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 73.24 109.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -54.96 136.5 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 62.13 109.273 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.69 -11.08 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 74.41 110.02 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.4 mtm -98.56 130.52 45.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 74.24 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 45.5 mt-30 -85.11 155.94 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 75.42 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.65 ' CG1' HD21 ' A' ' 17' ' ' LEU . 18.1 m -95.52 143.13 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 65.12 109.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 28.5 p30 -90.85 18.61 6.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 62.1 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.08 149.79 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 71.22 110.279 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.901 HG23 ' HA ' ' A' ' 12' ' ' PRO . 2.4 p -79.31 96.41 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 45.1 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ILE . 60.8 t -83.38 120.65 75.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 64.25 109.287 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HD2' HG21 ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.93 141.62 27.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 71.2 111.023 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.1 ttp -47.53 121.07 3.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.5 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.2 -7.83 48.25 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.423 1.077 . . . . 64.51 110.993 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.443 HG21 ' HD2' ' A' ' 50' ' ' PRO . 31.2 m -86.85 119.43 27.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 73.21 110.449 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.631 ' OG1' HG21 ' A' ' 27' ' ' VAL . 2.6 m -51.41 140.42 17.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 63.01 110.413 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.691 HD23 HD13 ' A' ' 40' ' ' LEU . 6.5 tp -87.55 129.69 35.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 73.54 109.343 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.866 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -105.98 161.07 23.96 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 61.43 110.985 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.575 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.01 -28.56 9.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 72.2 110.978 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -92.23 10.43 29.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 74.02 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtm -115.31 19.66 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.12 111.029 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -138.24 138.84 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 72.41 109.285 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 12.1 mtmt -85.8 146.17 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 63.24 109.274 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.45 14.29 26.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.57 1.169 . . . . 61.44 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 24.7 t80 -78.19 172.6 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 72.4 111.017 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.638 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 170.59 149.91 0.16 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 74.52 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -179.48 5.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 74.33 111.024 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 74.43 109.322 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.447 0.165 . . . . 73.43 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -124.11 88.61 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 73.01 109.309 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.423 ' CD ' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -100.53 133.51 44.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.25 110.272 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.47 136.97 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 65.25 110.32 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -124.62 143.22 50.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.675 HG11 HD23 ' A' ' 55' ' ' LEU . 71.0 t -54.6 135.89 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 74.03 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 4' ' ' SER . 71.0 t -136.21 132.84 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 64.33 109.311 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -62.82 100.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.23 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.86 -13.02 41.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 75.11 109.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 8' ' ' ALA . 22.4 m -154.1 167.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 73.15 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 tp -64.82 92.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.02 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.609 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -83.22 114.09 50.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.11 109.337 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.829 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.06 173.16 15.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 63.53 110.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 tt -68.49 155.35 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 61.01 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 40.81 50.39 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 63.1 109.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.829 HG21 ' HD2' ' A' ' 12' ' ' PRO . 65.0 m -118.08 116.0 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 72.14 110.381 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.9 125.18 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 75.4 109.272 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' CD2' HG21 ' A' ' 11' ' ' ILE . 69.1 mt -78.99 141.61 37.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 64.23 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.512 ' O ' ' HE2' ' A' ' 22' ' ' MET . 2.2 p -126.17 171.66 10.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 61.22 110.406 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -78.03 -13.05 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.33 109.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.88 10.62 48.66 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.445 1.09 . . . . 60.22 111.019 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -115.28 -32.72 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.737 . . . . 71.51 110.985 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.512 ' HE2' ' O ' ' A' ' 18' ' ' THR . 49.9 mtm -98.2 170.61 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 73.04 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 3.0 t -160.34 169.06 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 54.41 110.402 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.494 ' CG2' HD12 ' A' ' 37' ' ' ILE . 70.9 p -113.68 127.63 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 75.1 110.377 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.06 145.56 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 62.24 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -76.08 80.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 65.41 109.328 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.609 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.3 m -106.3 159.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 72.34 109.329 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.501 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.9 OUTLIER -128.58 135.97 28.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 62.1 109.977 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.97 153.67 99.29 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.042 -2.483 . . . . 71.13 111.034 -0.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.0 p -67.83 118.73 11.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 63.23 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -95.85 -152.19 28.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 71.11 110.956 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.889 HD11 ' O ' ' A' ' 56' ' ' MET . 36.1 mt -40.13 142.32 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 75.32 109.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 149.12 36.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 71.55 110.981 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 24' ' ' THR . . . -61.51 -15.14 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 64.23 109.255 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -79.7 -0.72 35.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.03 -1.17 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 74.34 109.298 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.568 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 1.4 mt -53.48 -48.57 92.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 75.23 109.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.93 -7.92 19.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.454 1.765 . . . . 72.05 110.992 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 16.1 mtp-105 -97.52 -18.39 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 51.52 110.325 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.858 HD13 HD23 ' A' ' 55' ' ' LEU . 20.8 mt -85.55 -24.48 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 71.23 109.305 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.2 mt -56.07 136.07 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 72.51 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.47 -11.09 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 54.42 109.995 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.6 mtm -99.84 128.59 45.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 72.21 111.01 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -87.98 152.89 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 54.33 110.319 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 6.4 m -85.48 154.98 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 64.33 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 21.0 p30 -105.78 30.99 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 74.03 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.445 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.6 tt0 -177.66 157.09 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 52.13 110.324 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 12' ' ' PRO . 2.9 t -84.33 102.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 74.12 109.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG22 ' HB ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -99.04 121.79 54.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 60.1 109.29 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.46 21.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.553 1.817 . . . . 74.22 110.979 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.3 ttp -39.63 122.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 73.11 110.982 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.21 -12.46 48.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 63.45 110.994 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -76.25 114.45 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 71.34 110.378 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.609 ' OG1' HG21 ' A' ' 27' ' ' VAL . 4.1 m -49.56 127.61 15.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 75.41 110.391 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.858 HD23 HD13 ' A' ' 40' ' ' LEU . 6.7 tp -72.5 130.6 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 62.43 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.889 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.7 mmt -107.38 161.11 24.15 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 71.21 111.005 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.581 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -24.62 12.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 62.43 111.011 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.37 10.18 40.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 60.43 109.318 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.8 mtm -112.42 10.11 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 75.22 110.986 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.43 138.12 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 75.22 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 53.6 mttt -86.21 150.37 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 75.21 109.305 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 73.52 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 10.0 t80 -83.12 173.2 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 74.23 110.98 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.16 151.21 0.21 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 53.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.19 35.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.531 1.806 . . . . 43.42 110.964 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 61.44 109.323 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.9 ptm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.464 0.173 . . . . 73.42 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -115.12 87.59 2.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 75.22 109.316 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.427 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -99.35 133.36 43.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 75.44 110.287 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -68.56 131.67 45.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 71.14 110.292 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -120.55 144.37 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 35.33 110.023 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.9 HG22 HG13 ' A' ' 37' ' ' ILE . 70.3 t -54.6 135.24 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.33 109.307 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' HG22 ' A' ' 23' ' ' THR . 53.4 t -139.85 122.99 17.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 72.11 109.321 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.745 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -50.19 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 51.3 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.808 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -63.25 -13.59 39.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 71.24 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.476 HG13 ' C ' ' A' ' 8' ' ' ALA . 19.9 m -155.32 172.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 72.45 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.58 105.04 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 72.32 109.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.745 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -100.75 107.98 51.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 61.43 109.296 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.904 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.98 173.2 14.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.799 . . . . 74.14 111.0 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.4 tt -68.04 156.49 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 74.32 109.275 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 40.85 49.81 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 70.13 109.304 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.904 HG21 ' HD2' ' A' ' 12' ' ' PRO . 47.1 m -117.29 119.82 36.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 63.53 110.385 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 125.98 13.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 73.21 109.346 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD13 ' HB3' ' A' ' 40' ' ' LEU . 75.2 mt -78.08 144.43 36.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 60.11 109.344 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' SD ' ' A' ' 22' ' ' MET . 1.6 p -144.89 152.4 40.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 74.34 110.425 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -57.99 -30.12 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 44.11 109.295 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.96 11.26 57.87 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 75.41 110.983 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ALA . 1.2 mtm -120.94 -37.39 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 0.73 . . . . 64.35 111.038 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' ' O ' ' A' ' 18' ' ' THR . 2.8 mpp? -97.56 178.42 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 72.34 111.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.836 HG22 ' O ' ' A' ' 6' ' ' VAL . 11.0 t -167.72 169.58 11.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 74.33 110.391 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.7 ' CG2' HD12 ' A' ' 37' ' ' ILE . 69.8 p -110.26 126.35 54.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 71.41 110.381 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.41 144.22 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 74.2 110.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.7 81.94 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 63.43 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -107.48 161.79 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 74.34 109.331 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 19.8 t -130.49 135.96 28.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 72.33 110.056 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 153.22 99.05 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.009 -2.496 . . . . 72.34 111.048 0.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 p -67.8 118.81 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 70.13 110.374 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 56' ' ' MET . . . -96.42 -149.03 25.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 61.11 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 56' ' ' MET . 59.0 mt -40.49 142.49 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 75.41 109.28 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.99 150.45 38.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 62.22 111.031 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.64 -12.99 38.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 41.42 109.329 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.37 -10.95 59.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 70.21 110.258 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 1.3 t70 -100.11 -7.34 25.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 61.02 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.9 HG13 HG22 ' A' ' 5' ' ' VAL . 1.6 mt -51.62 -48.8 85.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.32 109.274 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.03 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 51.41 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -97.57 -21.12 17.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 74.44 110.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD11 HG21 ' A' ' 32' ' ' ILE . 12.2 mt -82.38 -24.98 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 74.21 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -53.64 135.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 72.24 109.325 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.79 -11.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 50.52 110.013 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.9 mtm -99.7 130.64 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 63.52 110.981 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -87.59 151.86 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.4 110.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 5.7 m -85.05 159.63 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 71.53 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 23.0 p30 -109.85 30.51 6.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 70.24 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.596 ' HA ' HD12 ' A' ' 13' ' ' ILE . 6.7 tt0 -176.98 156.02 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 52.14 110.328 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 48' ' ' VAL . 2.7 t -76.76 96.64 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 72.45 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' ILE . 90.3 t -94.27 114.65 63.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 40.02 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.97 157.17 43.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.798 . . . . 75.22 111.028 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.1 ttm -58.5 120.05 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 72.01 110.98 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.97 -15.37 40.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 61.31 111.003 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 50' ' ' PRO . 21.2 m -75.71 115.44 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 52.44 110.41 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.615 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.3 m -49.85 138.81 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 74.41 110.438 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.787 HD23 HD13 ' A' ' 40' ' ' LEU . 6.4 tp -85.3 130.71 34.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 73.34 109.298 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.914 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.6 mmt -108.27 160.89 25.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 50.42 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.582 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.99 -22.76 14.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 73.22 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.39 10.63 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 75.13 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.2 mtm -115.82 12.07 15.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 64.04 110.971 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.452 HG21 HD22 ' A' ' 40' ' ' LEU . 57.9 t -131.01 139.17 51.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 73.33 109.253 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 16.6 mtmt -87.14 150.43 23.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 74.44 109.334 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 53.6 18.78 8.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 73.43 110.998 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 22.2 t80 -81.55 173.38 12.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 74.22 111.018 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.11 147.95 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 62.43 109.32 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -175.82 2.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 72.32 111.002 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 72.21 109.301 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.486 0.184 . . . . 54.34 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -131.2 88.87 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 64.33 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -101.96 133.37 46.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 65.13 110.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -70.09 131.36 44.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 72.0 110.258 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.497 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -118.01 143.27 46.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 75.34 110.039 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.771 HG11 HD12 ' A' ' 55' ' ' LEU . 71.3 t -54.61 135.05 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 70.35 109.284 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 4' ' ' SER . 58.7 t -138.13 118.04 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 55.12 109.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.691 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -46.76 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 61.32 109.28 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.767 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -68.82 -8.64 45.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 63.13 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 8' ' ' ALA . 27.5 m -157.77 171.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 71.32 109.249 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.1 tp -63.91 105.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 43.23 109.331 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.691 HG13 ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.98 107.46 52.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 70.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.9 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.02 173.25 14.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 71.41 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 47' ' ' GLN . 6.0 tt -67.27 155.42 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.51 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 13.0 m-20 41.76 51.15 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 61.01 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.9 HG21 ' HD2' ' A' ' 12' ' ' PRO . 53.5 m -119.99 117.26 27.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 72.3 110.365 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.67 126.68 14.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 54.44 109.293 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.562 ' CD2' HG21 ' A' ' 11' ' ' ILE . 82.9 mt -84.03 139.52 32.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 74.23 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' CE ' ' A' ' 22' ' ' MET . 19.5 p -126.26 173.08 9.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 61.24 110.385 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -78.35 -16.09 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.25 109.273 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.54 10.64 57.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.453 1.096 . . . . 52.05 111.01 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.43 ' CE ' ' HA ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -115.25 -28.96 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 73.35 110.983 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.46 ' CE ' ' O ' ' A' ' 18' ' ' THR . 54.5 mtm -101.92 176.59 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.34 110.996 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.767 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -167.66 170.39 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 74.42 110.377 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -110.33 135.43 51.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 55.3 110.403 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.78 145.16 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 65.11 110.271 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.96 81.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 70.25 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.713 HG21 ' OG1' ' A' ' 54' ' ' THR . 3.2 m -106.3 158.5 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 75.11 109.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -128.59 136.15 28.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 33.34 109.996 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 153.76 99.31 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.993 -2.503 . . . . 52.3 111.022 0.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -66.62 118.11 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 55.13 110.395 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.527 ' HA2' ' HE2' ' A' ' 56' ' ' MET . . . -96.04 -149.91 26.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 63.24 111.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.912 HD11 ' O ' ' A' ' 56' ' ' MET . 95.2 mt -40.7 142.33 0.81 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 70.11 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.712 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.06 149.79 36.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 74.05 110.967 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.8 -13.29 42.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 63.4 109.31 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -80.62 -11.31 59.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 74.52 110.266 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.04 -3.2 38.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 64.43 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.645 HG13 HG22 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -52.86 -49.07 88.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 55.51 109.303 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -8.61 20.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 70.11 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.9 mtp-105 -97.42 -16.83 20.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 74.34 110.363 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.777 HD11 HG21 ' A' ' 32' ' ' ILE . 27.5 mt -87.65 -23.69 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 74.25 109.317 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.9 mt -55.87 135.55 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 62.43 109.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 84.83 -11.04 0.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 75.31 110.027 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 2.8 mtm -100.68 131.07 46.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 75.32 111.0 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -91.21 147.47 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 74.14 110.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 8.8 m -76.09 151.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 74.35 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 24.2 p30 -102.63 30.89 4.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 71.11 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 7.7 tt0 -178.62 159.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 62.22 110.341 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 47' ' ' GLN . 2.6 t -77.63 107.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 61.34 109.312 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG13 ' HB ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -110.13 115.66 54.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 60.11 109.297 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -75.02 164.71 32.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 54.21 110.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.525 ' HE2' ' HA ' ' A' ' 9' ' ' VAL . 29.9 ttm -64.22 124.03 20.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 71.52 111.025 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.45 -16.08 52.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.481 1.113 . . . . 62.33 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.439 ' HB ' HG23 ' A' ' 49' ' ' VAL . 18.5 m -73.68 114.19 11.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 63.1 110.364 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.713 ' OG1' HG21 ' A' ' 27' ' ' VAL . 7.0 m -49.51 135.03 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 75.41 110.427 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.771 HD12 HG11 ' A' ' 5' ' ' VAL . 4.7 mt -80.92 140.56 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 74.55 109.332 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.912 ' O ' HD11 ' A' ' 32' ' ' ILE . 4.0 mmt -118.05 159.91 41.13 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 50.24 110.993 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.563 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -19.89 17.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.763 . . . . 73.55 111.034 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.06 7.0 44.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 62.24 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.424 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 8.5 mtm -115.22 20.26 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 60.12 111.037 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.495 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 56.6 t -135.28 140.97 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 72.22 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 26.8 mtmt -87.05 150.78 23.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 51.02 109.277 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.24 21.79 3.0 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.474 1.109 . . . . 64.34 111.009 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 24.1 t80 -83.21 172.93 12.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 72.12 110.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.95 148.84 0.16 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 44.53 109.361 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.64 41.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 71.41 110.972 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HB2' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 52.32 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.7 ttp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.482 0.182 . . . . 70.11 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -111.68 93.27 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 71.41 109.284 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -109.43 132.97 53.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 53.24 110.312 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -70.31 134.11 47.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 74.54 110.33 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.7 OUTLIER -122.24 145.52 48.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 72.22 109.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.864 HG22 HG13 ' A' ' 37' ' ' ILE . 69.3 t -54.5 134.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 73.42 109.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 4' ' ' SER . 59.7 t -137.27 124.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 64.42 109.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB1' HG13 ' A' ' 11' ' ' ILE . . . -51.75 100.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 74.13 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.737 ' HB2' ' HB ' ' A' ' 23' ' ' THR . . . -64.27 -12.68 43.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 71.53 109.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 8' ' ' ALA . 30.1 m -155.4 168.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 72.43 109.299 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 50' ' ' PRO . 3.9 tp -63.58 99.96 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 53.54 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.644 HG21 ' CD2' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.54 112.07 53.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 75.05 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.745 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 173.04 15.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.441 1.759 . . . . 75.03 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.8 tt -70.9 151.65 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 43.21 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.7 m-80 46.92 49.27 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 73.42 109.264 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.745 HG21 ' HD2' ' A' ' 12' ' ' PRO . 51.2 m -121.48 120.72 35.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 45.31 110.412 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.2 40.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 45.12 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 11' ' ' ILE . 72.9 mt -86.22 141.37 29.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.11 109.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.53 ' O ' ' HE2' ' A' ' 22' ' ' MET . 41.1 p -124.72 176.62 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 72.4 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -81.96 -14.37 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 75.23 109.303 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.22 10.9 51.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 42.54 111.044 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.542 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -113.12 -33.59 5.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 71.43 110.979 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.53 ' HE2' ' O ' ' A' ' 18' ' ' THR . 53.1 mtm -98.1 175.59 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 74.42 110.974 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.737 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 1.1 t -162.72 171.89 16.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 75.54 110.396 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.439 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 58.9 p -111.83 129.62 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 72.4 110.384 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -161.21 119.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 73.42 110.306 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 26' ' ' VAL . 2.3 p -66.02 84.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 72.12 109.308 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 25' ' ' ARG . 4.5 m -106.18 167.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.14 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -128.62 133.69 25.45 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 73.02 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.03 153.5 99.16 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.967 -2.514 . . . . 50.12 111.007 0.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.4 p -69.98 123.0 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 62.22 110.415 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.72 -149.95 23.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 42.52 110.984 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.73 HG21 HD11 ' A' ' 40' ' ' LEU . 83.3 mt -40.47 142.55 0.75 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 61.42 109.361 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.716 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 152.54 41.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 73.35 111.016 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -63.64 -13.45 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 53.2 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -82.68 -12.77 57.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.3 110.271 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.33 -6.74 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 73.11 109.271 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.864 HG13 HG22 ' A' ' 5' ' ' VAL . 1.1 mt -53.3 -48.52 92.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 74.55 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 -7.45 19.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 64.45 110.976 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -97.42 -19.75 18.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.51 110.316 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 60' ' ' VAL . 23.0 mt -84.88 -23.76 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 73.53 109.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' SER . 3.0 mt -55.56 136.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 61.23 109.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 84.65 -11.12 0.82 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 75.33 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 1.2 mtm -100.88 133.55 45.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 73.42 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -91.88 148.84 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.41 110.334 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG1' HD21 ' A' ' 17' ' ' LEU . 30.9 m -81.01 154.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 61.33 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' HB3' ' CG ' ' A' ' 61' ' ' LYS . 22.3 p30 -105.66 32.29 4.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 73.24 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.952 ' HA ' HD12 ' A' ' 13' ' ' ILE . 7.0 tt0 -178.15 156.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 74.42 110.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' HG12 ' A' ' 48' ' ' VAL . 2.9 t -74.39 96.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 64.21 109.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 11' ' ' ILE . 75.6 t -94.09 115.35 65.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 72.03 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.56 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.96 165.38 31.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 74.12 111.008 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.414 ' HB2' ' N ' ' A' ' 10' ' ' LEU . 6.4 ttm -69.01 117.22 10.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 50.05 110.97 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.43 -13.26 33.23 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.473 1.108 . . . . 55.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -74.77 117.84 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 71.12 110.367 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.46 ' OG1' HG21 ' A' ' 27' ' ' VAL . 3.2 m -49.64 136.07 17.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 55.4 110.425 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.707 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -78.81 130.63 35.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 73.31 109.292 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.616 ' O ' HD11 ' A' ' 32' ' ' ILE . 12.3 mmt -110.2 156.77 39.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 54.42 111.019 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.584 ' CB ' ' CE1' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.96 -20.62 16.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 64.23 111.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.12 12.0 37.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 74.23 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.4 mtm -114.55 7.0 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.44 110.998 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.738 HG21 HD22 ' A' ' 40' ' ' LEU . 45.0 t -127.52 135.19 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 62.33 109.268 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 46' ' ' ASN . 2.9 mtmp? -81.2 152.57 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 72.11 109.284 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.7 21.26 3.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 30.1 110.985 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 12.9 t80 -83.62 173.06 11.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 72.3 110.989 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.597 ' N ' ' CG ' ' A' ' 63' ' ' TYR . . . 172.47 151.03 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 65.23 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.82 23.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.533 1.807 . . . . 71.11 110.989 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 44.11 109.271 -179.983 . . . . . . . . 0 0 . 1 stop_ save_