data_2dn5_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 2dn5 _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 ' 8' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 70' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -58.99 1.94 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.81 -42.73 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.52 -47.27 73.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 94.0 t -65.12 -38.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 21.5 mttt -55.33 -57.41 11.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -59.55 -32.32 70.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.85 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.37 -37.81 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -68.95 -39.6 79.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.8 mm-40 -62.25 -47.06 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -57.05 -52.31 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.551 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 1.9 t80 -47.79 -50.32 26.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.48 -56.62 16.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.22 -40.23 77.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 0.744 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.46 91.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD12 ' CD2' ' A' ' 20' ' ' TYR . 5.0 mt -70.35 -8.35 49.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.96 82.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.05 -178.78 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.92 22.36 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -141.66 153.15 64.69 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.46 20.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 31' ' ' LEU . 61.3 t -130.12 140.36 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' N ' HG13 ' A' ' 30' ' ' VAL . 7.8 mt -55.99 158.34 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.9 t -106.22 119.02 53.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.551 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 61.28 5.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 82.9 m-85 -45.56 -41.06 9.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -48.58 62.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.7 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -42.3 -38.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -56.92 -60.93 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.64 -33.18 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -117.4 89.85 32.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.12 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.81 30.0 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.22 -53.17 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 80' ' ' ILE . 33.8 t -136.22 140.92 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -100.25 133.68 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 55' ' ' PHE . 53.6 t -120.48 127.47 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -145.97 171.25 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.07 -24.84 22.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.11 163.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.1 Cg_endo -74.97 150.11 37.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.563 1.823 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.1 150.64 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.18 33.97 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 49.1 mt -150.98 118.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.439 1.757 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 46' ' ' VAL . 6.7 t80 -129.19 92.3 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASN . 1.8 mtm-85 -141.08 175.27 9.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' O ' ' CG2' ' A' ' 60' ' ' THR . 2.6 t-20 -39.33 136.31 1.07 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.587 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -91.87 67.99 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.78 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.3 m-85 -49.86 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.32 170.58 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -43.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -60.25 -72.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -45.44 -51.44 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 24.0 mt -49.11 -42.61 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.6 mm-40 -75.56 -48.59 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.12 -53.82 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.05 -50.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 8' ' ' LEU . 13.1 mt -61.5 -32.01 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 67' ' ' GLU . 8.1 mttt -74.56 -7.39 52.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.9 21.61 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -60.74 -33.62 73.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.216 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.84 -16.83 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.279 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -93.22 -38.13 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.85 130.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.5 tpp85 -144.16 135.3 25.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.4 mtt -110.0 142.8 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 84.9 t -134.69 120.96 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 44' ' ' VAL . 14.7 mm -70.3 107.19 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 70' ' ' LEU . 13.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -44.02 -50.89 8.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.46 -35.53 79.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -67.54 -42.42 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 75.4 t -65.81 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 18.8 mtmt -54.68 -56.79 15.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.6 mm-40 -60.01 -33.06 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 tp -57.9 -66.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -52.51 -38.09 58.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.66 -37.29 79.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.1 mm-40 -64.27 -45.38 88.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -59.23 -53.38 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.573 ' CD2' HD13 ' A' ' 24' ' ' LEU . 2.0 t80 -47.43 -50.86 21.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.89 -55.36 23.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.75 -40.91 85.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.4 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -71.64 -7.07 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 19.08 75.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -95.94 -173.15 2.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -125.04 22.02 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -143.56 152.43 56.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.13 17.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 31' ' ' LEU . 66.3 t -126.37 140.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' HG13 ' A' ' 30' ' ' VAL . 7.8 mt -56.4 156.92 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.537 HG13 ' CE1' ' A' ' 34' ' ' TYR . 45.7 t -105.96 118.99 53.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 62.24 5.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CE1' HG13 ' A' ' 32' ' ' VAL . 92.6 m-85 -46.78 -42.97 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.47 -45.56 36.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -66.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 mt -40.5 -37.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.07 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -36.93 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -111.51 97.8 37.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.942 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.95 46.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.57 -54.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 80' ' ' ILE . 39.5 t -139.08 141.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -100.63 133.25 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG22 ' CE2' ' A' ' 55' ' ' PHE . 65.2 t -119.13 123.37 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 p -141.43 172.15 13.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.51 -24.91 17.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.138 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.69 163.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 153.63 41.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.73 143.17 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t0 70.14 34.91 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 49.2 mt -151.88 119.0 3.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE2' HG22 ' A' ' 46' ' ' VAL . 17.2 t80 -127.9 93.35 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.3 mtt180 -141.34 173.23 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.8 t-20 -39.6 137.33 1.09 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.58 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -7.11 18.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -92.82 68.06 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.16 -36.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.8 m-85 -47.5 174.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -111.06 162.25 15.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.68 -34.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -68.94 -72.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -44.26 -47.08 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.0 mt -52.7 -45.54 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.71 -53.0 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -46.79 -58.57 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.361 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 mt -48.87 -52.79 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD1' HD22 ' A' ' 8' ' ' LEU . 12.2 mt -58.97 -29.47 67.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -23.32 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.34 26.51 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -62.34 -33.83 75.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.25 -32.18 49.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -75.52 -42.75 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.081 . . . . 0.0 109.588 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.8 t -44.67 131.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 132.15 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 54.4 mtt -107.24 143.19 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.6 t -135.98 117.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' A' ' 44' ' ' VAL . 16.4 mm -68.34 100.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 35.4 mm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.539 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -53.06 -66.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 3.5 mt-10 -48.36 -42.32 31.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -54.13 -53.64 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.59 -36.0 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' CE ' ' HG2' ' A' ' 10' ' ' GLU . 46.8 mtmt -54.0 -58.17 8.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mt-10 -58.95 -33.24 70.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.2 tp -58.19 -67.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.2 m-85 -51.31 -42.85 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 13' ' ' LYS . 3.4 m-20 -63.9 -41.97 97.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.3 mm-40 -59.39 -49.91 76.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -53.47 -53.57 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.3 -51.62 14.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.79 -56.04 17.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.82 -45.93 81.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.4 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.32 -4.98 42.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.98 79.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mt -97.31 -176.15 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 0.704 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -122.32 24.0 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -146.9 154.56 47.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.85 24.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 31' ' ' LEU . 71.3 t -132.33 142.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' N ' HG11 ' A' ' 30' ' ' VAL . 9.8 mt -61.98 146.93 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.537 HG11 ' CE1' ' A' ' 34' ' ' TYR . 76.3 t -95.58 119.38 65.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.6 Cg_endo -75.02 61.4 5.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CE1' HG11 ' A' ' 32' ' ' VAL . 87.3 m-85 -46.65 -41.41 14.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.61 -34.64 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.2 mt -82.22 -64.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 mt -43.95 -30.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -52.27 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.17 -32.96 56.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -112.42 95.93 33.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.33 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -107.02 48.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.01 -53.89 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 80' ' ' ILE . 44.6 t -138.77 140.2 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -100.15 129.1 46.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG22 ' CE2' ' A' ' 55' ' ' PHE . 52.1 t -117.28 127.03 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -145.72 174.26 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.02 -28.29 8.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.639 1.212 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -43.07 163.6 0.15 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.4 31.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.53 146.88 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t0 70.54 29.95 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -150.76 118.33 3.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE2' HG22 ' A' ' 46' ' ' VAL . 4.2 t80 -128.11 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.82 179.24 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.464 ' O ' ' CG2' ' A' ' 60' ' ' THR . 3.3 t-20 -39.69 129.27 1.47 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.6 Cg_endo -74.87 -11.76 21.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.17 68.17 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.95 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -45.62 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -101.1 158.04 16.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -40.5 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.425 ' N ' HG23 ' A' ' 63' ' ' ILE . 59.2 m170 -67.15 -72.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -46.48 -45.27 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.1 -41.38 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.44 -47.74 63.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -57.4 -49.3 76.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.41 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 4.5 mt -56.44 -50.31 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 8.9 mt -56.69 -45.65 81.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.84 -27.18 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' O ' ' CG2' ' A' ' 76' ' ' VAL . . . -103.01 23.73 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -67.83 -38.62 83.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -17.26 58.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -92.64 -38.95 11.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 37.4 t -49.95 131.05 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.51 133.0 20.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 57.7 mtt -108.24 143.9 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.0 t -136.73 118.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 44' ' ' VAL . 20.3 mm -67.96 101.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 70' ' ' LEU . 60.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -55.01 -52.55 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -24.56 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.05 -34.23 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.6 t -76.21 -42.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -53.77 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -62.39 -32.2 72.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.7 tp -60.38 -69.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.9 m-85 -50.88 -36.01 35.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -70.94 -40.92 71.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -61.4 -47.9 83.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -56.75 -52.4 65.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 2.3 t80 -47.29 -49.84 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.21 -57.97 14.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -56.4 -40.03 73.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.0 89.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.1 mt -70.53 -9.47 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.192 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.39 80.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.41 -174.02 3.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.96 21.26 9.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -140.12 151.39 64.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.05 13.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 31' ' ' LEU . 72.1 t -125.08 141.18 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.9 mt -57.84 161.43 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.6 t -109.34 120.38 45.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CD2' ' ND2' ' A' ' 57' ' ' ASN . 65.8 m-85 -44.36 -48.77 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -44.84 -46.41 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.84 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -41.85 -31.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -57.78 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -28.15 62.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -116.68 96.32 48.15 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.6 53.33 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.56 -53.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG21 ' CD1' ' A' ' 80' ' ' ILE . 30.9 t -138.73 139.86 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -100.15 133.73 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 55' ' ' PHE . 54.3 t -119.59 126.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 p -143.16 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.6 -24.99 12.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 13.5 mt -44.56 164.26 0.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HG3' ' N ' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.07 149.61 36.66 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.95 143.87 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.29 30.99 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 44.4 mt -149.15 118.44 3.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 46' ' ' VAL . 2.9 t80 -129.69 94.25 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.2 mtm180 -140.86 177.33 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -39.7 135.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 -8.93 20.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -92.02 71.24 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.32 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.462 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.7 m-85 -51.7 172.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.59 168.71 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -39.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -62.95 -72.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.6 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -46.3 -47.26 18.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.9 mt -55.5 -44.38 76.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.84 -53.16 16.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -49.11 -57.49 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 26.6 mt -53.6 -39.34 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 8' ' ' LEU . 28.9 mt -68.26 -34.59 76.48 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -21.27 63.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.88 25.79 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -62.14 -34.12 75.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.26 -26.96 42.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.23 -41.35 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.0 t -46.76 127.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -139.71 137.95 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.5 mtt -112.93 140.69 47.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 89.7 t -133.04 120.3 40.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.45 ' CD1' HG21 ' A' ' 44' ' ' VAL . 15.5 mm -69.84 107.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.5 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 70' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -48.19 -54.39 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.05 -42.05 76.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -53.08 -49.23 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 77.7 t -66.84 -40.97 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -51.56 -55.17 20.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mm-40 -61.0 -35.4 76.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.55 -67.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -51.31 -41.43 60.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.36 -38.78 91.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mm-40 -62.3 -45.46 93.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 76' ' ' VAL . 72.2 mmtt -61.76 -54.66 39.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.611 1.195 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 t80 -44.93 -51.87 9.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.98 -58.7 8.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.69 -46.36 74.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.03 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 20' ' ' TYR . 15.0 mt -73.51 -8.74 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 24.31 62.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.14 -172.51 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.28 18.25 9.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.76 156.15 69.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.91 14.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 31' ' ' LEU . 60.5 t -125.06 140.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -58.91 152.58 19.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.8 t -102.43 122.46 46.36 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.97 67.12 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.0 m-85 -52.95 -46.72 68.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -39.6 9.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.063 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.6 mt -76.42 -68.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.4 mt -40.06 -40.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -54.77 -51.68 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.22 -32.7 56.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.52 95.62 32.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.049 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.01 19.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -113.73 50.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.99 -53.02 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 80' ' ' ILE . 38.7 t -139.18 139.42 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.6 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.578 HG22 ' CE1' ' A' ' 55' ' ' PHE . 51.5 t -121.55 129.57 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -144.08 172.69 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.13 -26.39 13.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 mt -45.12 163.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 146.04 32.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.87 146.49 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.26 29.95 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 54.2 mt -150.43 118.73 3.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.578 ' CE1' HG22 ' A' ' 46' ' ' VAL . 6.5 t80 -126.65 93.6 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.9 mtt180 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -39.02 139.97 0.72 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -6.57 18.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -93.11 67.85 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.85 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.2 m-85 -49.39 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.67 162.06 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -41.45 -36.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.416 ' N ' HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -66.45 -73.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.619 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -43.59 -48.92 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 19.8 mt -49.99 -48.01 52.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.01 -54.4 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -46.19 -57.05 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.21 -56.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 8' ' ' LEU . 8.2 mt -54.87 -36.14 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -69.32 -24.93 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.68 29.69 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.69 -31.68 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.26 23.9 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -135.43 -45.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 27.8 t -40.53 130.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' MET . 9.2 tpt180 -138.25 137.32 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 53.5 mtt -113.65 142.0 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.4 t -135.43 119.48 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 44' ' ' VAL . 17.5 mm -69.29 105.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.0 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 70' ' ' LEU . 23.5 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -47.11 -52.3 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.12 -44.64 92.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -60.02 -30.98 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 99.6 t -77.04 -37.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -54.56 -58.73 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.35 -32.79 68.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.7 tp -59.15 -69.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 11.4 m-85 -50.82 -37.5 43.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -68.89 -40.88 78.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.3 mm-40 -60.59 -47.17 87.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -57.67 -55.57 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 1.9 t80 -45.77 -50.65 13.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.9 -58.59 11.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.13 84.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.58 -8.33 53.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.02 20.76 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -94.7 -174.53 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.74 21.59 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -144.98 154.14 54.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.26 21.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 31' ' ' LEU . 61.8 t -127.96 140.43 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.467 ' N ' HG11 ' A' ' 30' ' ' VAL . 8.2 mt -58.91 149.85 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.199 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 34' ' ' TYR . 55.9 t -100.17 116.85 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.5 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 32' ' ' VAL . 89.9 m-85 -45.4 -37.54 5.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -53.55 -44.74 69.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.51 -65.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.0 mt -40.81 -35.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -54.33 42.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.65 -25.37 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 t -123.57 95.31 45.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.3 21.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.66 50.02 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.87 -51.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 80' ' ' ILE . 75.5 t -135.66 142.52 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 5.8 tt0 -103.2 126.68 50.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 56.2 t -115.2 124.63 71.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 p -144.97 172.76 12.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.75 -25.84 10.72 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.59 1.181 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.19 163.81 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.435 0.727 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 146.71 32.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.416 1.745 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 142.76 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.23 35.58 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -152.59 118.72 3.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -129.3 91.42 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASN . 51.2 mmt-85 -138.92 173.26 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.3 t30 -39.29 136.61 1.05 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -97.95 69.71 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.51 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.47 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-85 -50.64 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . 37.4 t70 -124.28 170.01 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.72 -66.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.417 ' N ' HG22 ' A' ' 63' ' ' ILE . 48.9 m-70 -39.09 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -44.83 -59.99 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -44.45 -36.96 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.2 mm-40 -78.53 -53.93 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.8 mttm -47.97 -62.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 21.1 mt -46.44 -53.81 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' HD22 ' A' ' 8' ' ' LEU . 10.1 mt -59.3 -28.33 66.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -74.42 -33.66 63.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.11 10.38 41.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -43.19 -39.07 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.6 -46.85 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -61.65 -44.59 96.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.5 t -45.35 129.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 78' ' ' MET . 7.8 tpt180 -145.5 136.92 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -110.9 144.44 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.49 118.97 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 44' ' ' VAL . 47.7 mm -67.45 92.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 17.2 mm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -45.95 -56.8 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.26 67.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.84 -44.01 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -50.96 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -64.47 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 1.4 tp -57.82 -65.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.1 m-85 -52.96 -39.52 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.55 -39.21 84.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.6 mm-40 -62.1 -47.22 85.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -55.59 -58.99 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.449 ' N ' ' SD ' ' A' ' 78' ' ' MET . 2.9 t80 -44.5 -50.26 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.05 -55.29 15.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.579 1.175 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.32 -40.84 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.47 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.71 -8.0 48.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.65 16.81 76.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.39 -168.16 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.225 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.76 21.83 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -146.95 157.52 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.06 28.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 31' ' ' LEU . 79.1 t -137.54 140.87 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' N ' HG11 ' A' ' 30' ' ' VAL . 7.8 mt -56.39 158.34 4.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.53 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 64.8 t -109.66 118.92 49.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 66.7 6.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 77.1 m-85 -51.21 -41.72 60.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -45.86 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.06 -64.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mt -42.09 -32.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 109.347 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -62.3 -56.39 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -127.52 89.31 51.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -7.61 19.37 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.31 31.9 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.23 -50.02 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.227 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 80' ' ' ILE . 25.9 t -137.74 140.19 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -98.58 128.7 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.582 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 54.6 t -115.8 127.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -146.12 171.56 14.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 -27.48 10.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.1 mt -44.34 163.57 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 143.79 29.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -59.71 144.75 47.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 4.7 t0 71.21 33.92 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 52' ' ' ASP . 21.8 mt -155.07 117.26 2.41 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 8.9 t80 -127.54 98.9 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ASN . 54.3 mmt-85 -139.76 177.17 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' O ' ' CG2' ' A' ' 60' ' ' THR . 15.0 t30 -39.92 130.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.578 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.95 -13.75 21.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.32 70.33 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.16 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.7 m-85 -47.53 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.04 -43.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -58.61 -72.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 109.7 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.22 -52.96 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 17.3 mt -49.92 -45.87 51.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.0 mm-40 -69.45 -53.16 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -48.43 -51.48 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 3.0 mt -56.82 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.54 -37.43 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -67.59 -12.51 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.78 14.79 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -51.84 -32.06 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.54 -40.79 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.53 -40.74 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -46.98 127.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.1 tpt180 -145.43 136.62 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.3 mtt -111.58 141.51 45.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.6 116.83 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 44' ' ' VAL . 8.8 mm -67.55 102.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 70' ' ' LEU . 11.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -38.92 -57.93 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.66 77.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -53.45 -54.53 35.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 79.0 t -53.45 -44.73 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.07 -57.16 11.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.0 mm-40 -59.57 -34.04 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 69' ' ' ILE . 3.3 tp -57.16 -68.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.6 m-85 -50.32 -42.68 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -64.09 -41.88 97.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -59.7 -46.93 87.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -57.26 -53.73 54.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.0 t80 -47.31 -51.42 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.08 -57.78 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.1 -42.23 76.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 20' ' ' TYR . 15.7 mt -72.3 -9.04 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 15.66 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mt -93.87 -174.17 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.86 22.7 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -143.56 151.87 55.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.26 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.439 1.757 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 31' ' ' LEU . 71.1 t -126.16 142.22 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' HG13 ' A' ' 30' ' ' VAL . 8.3 mt -58.95 155.89 12.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 75.8 t -102.79 121.51 49.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.04 59.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 80.3 m-85 -43.63 -42.01 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -49.82 -53.24 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.4 -66.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.5 mt -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -54.89 -54.44 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.92 -41.04 75.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.4 t -108.98 102.19 47.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.11 14.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -99.74 53.41 0.93 Allowed 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.419 1.074 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.47 -52.87 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 HG22 ' CD1' ' A' ' 80' ' ' ILE . 38.7 t -138.9 140.87 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.85 133.63 45.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 54.9 t -119.96 127.69 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 p -145.22 169.43 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.26 -23.64 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 mt -46.26 163.36 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.4 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.96 145.75 31.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.89 142.49 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 70.78 35.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 42.7 mt -152.99 118.0 2.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 8.1 t80 -127.6 95.41 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.3 mtt180 -140.72 173.02 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.8 t-20 -38.48 135.02 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 -8.85 20.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.76 67.84 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.81 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.2 m-85 -48.87 174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -111.49 162.97 14.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -41.29 -36.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -73.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.504 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -44.3 -48.05 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -53.22 -46.19 69.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.1 mm-40 -68.58 -55.25 12.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -44.69 -50.14 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' A' ' 15' ' ' LEU . 5.2 mt -57.77 -55.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HD23 ' A' ' 8' ' ' LEU . 18.2 mt -55.77 -32.14 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -71.48 -22.93 61.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.5 22.06 14.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.69 -29.91 70.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -18.14 37.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -92.4 -40.01 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.1 t -46.16 130.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.78 130.21 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.3 mtt -107.3 142.33 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 96.9 t -135.91 120.72 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 44' ' ' VAL . 14.6 mm -71.25 106.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 70' ' ' LEU . 17.4 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.72 -64.09 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -50.42 62.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.95 -49.38 40.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 68.3 t -61.27 -45.15 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -50.94 -54.77 21.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.3 mt-10 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.6 tp -57.04 -67.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.6 m-85 -51.94 -38.43 56.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.2 -37.89 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.5 mm-40 -63.84 -46.07 86.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -57.76 -53.66 55.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 3.2 t80 -46.84 -50.66 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.25 -55.77 17.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.167 . . . . 0.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.44 -41.8 85.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.82 85.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' CE2' ' A' ' 20' ' ' TYR . 15.9 mt -71.57 -6.79 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.34 77.66 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.76 -176.86 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.15 22.44 10.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.27 153.1 62.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.55 20.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 31' ' ' LEU . 71.7 t -131.9 141.86 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' HG12 ' A' ' 30' ' ' VAL . 8.0 mt -57.11 153.54 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.558 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 77.2 t -102.83 118.98 57.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 64.55 6.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.0 m-85 -51.31 -42.43 61.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -47.91 -43.15 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.98 -65.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -40.67 -37.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -52.2 66.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.98 -35.82 62.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.19 98.15 41.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -16.33 20.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -104.37 49.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.42 -52.53 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 80' ' ' ILE . 48.3 t -138.37 141.27 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -101.45 128.81 47.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 55' ' ' PHE . 54.1 t -116.98 123.18 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -142.22 172.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.356 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.95 -25.11 14.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.7 mt -44.85 163.67 0.19 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 148.43 35.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -64.06 144.08 57.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t70 70.61 30.62 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 65' ' ' ARG . 42.1 mt -148.63 119.45 4.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 46' ' ' VAL . 6.0 t80 -130.38 97.15 4.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.5 mtt180 -141.43 175.3 9.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.3 t-20 -39.62 135.35 1.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 -8.88 20.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -93.42 72.84 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' TYR . 0.0 OUTLIER 174.27 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.0 m-85 -50.74 -175.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.62 -179.39 4.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.77 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -63.58 -73.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.573 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HG3' ' CD1' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -43.26 -50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 15.6 mt -54.13 -56.38 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.15 -59.73 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.9 mmtm -41.19 -63.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 4.1 mt -45.16 -51.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' CD1' HD22 ' A' ' 8' ' ' LEU . 15.2 mt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.5 mttt -70.23 -16.69 63.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.2 16.8 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -54.94 -34.34 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -28.52 46.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.222 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -80.92 -40.59 24.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 37.8 t -49.72 130.78 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -146.02 135.63 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -109.2 144.4 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.1 t -138.7 117.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 44' ' ' VAL . 25.1 mm -66.93 106.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.6 mm . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 70' ' ' LEU . 12.1 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.67 -57.36 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.07 87.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -48.75 -48.83 40.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 75.2 t -61.65 -44.9 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 19.2 mtmt -49.92 -51.52 40.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' GLU . 14.9 mt-10 -63.91 -35.95 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.8 tp -56.15 -68.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.205 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.3 m-85 -49.35 -34.34 15.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.63 -35.25 67.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.0 mm-40 -66.73 -42.16 86.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -62.35 -55.49 27.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.545 ' CD2' HD13 ' A' ' 24' ' ' LEU . 3.0 t80 -45.9 -52.7 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.42 -57.66 10.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.54 -46.96 73.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.96 76.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 20' ' ' TYR . 13.9 mt -72.26 -6.85 45.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.31 23.98 69.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -101.73 -175.61 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.7 20.46 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -144.51 155.71 56.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 137.88 22.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 31' ' ' LEU . 52.1 t -129.93 140.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' HG12 ' A' ' 30' ' ' VAL . 8.6 mt -59.38 149.85 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.2 t -97.13 125.59 45.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.06 58.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 75.0 m-85 -43.11 -44.17 4.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.59 -46.36 39.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.7 mt -70.85 -67.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -39.4 -40.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -51.45 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -73.03 -43.38 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -109.2 100.6 41.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -12.84 21.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -105.52 43.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.64 -50.95 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 80' ' ' ILE . 40.9 t -137.98 142.47 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 18.6 tt0 -100.48 126.34 46.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG22 ' CE2' ' A' ' 55' ' ' PHE . 50.5 t -115.73 126.69 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 p -144.89 172.99 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -26.18 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.93 163.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 155.76 43.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.4 143.9 53.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 32.65 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 54.1 mt -150.42 118.96 3.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 46' ' ' VAL . 2.8 t80 -127.97 93.64 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASN . 6.5 mtt180 -141.81 175.28 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' A' ' 60' ' ' THR . 4.6 t30 -39.48 138.38 0.96 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.95 -11.24 21.56 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -90.74 70.58 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.66 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.597 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.1 m-85 -50.97 177.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.44 162.94 15.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -41.49 -41.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.404 ' N ' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -62.08 -73.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.609 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -43.11 -50.46 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.5 mt -49.68 -49.74 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.56 -51.81 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -45.44 -58.79 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 mt -49.22 -57.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 8' ' ' LEU . 15.6 mt -53.26 -29.65 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -73.54 -31.54 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.07 20.51 18.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -54.32 -34.5 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -75.42 -42.88 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -66.0 -43.92 86.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -43.31 130.41 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 78' ' ' MET . 4.7 tpp180 -147.58 135.61 21.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.408 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 56.7 mtt -111.35 143.3 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 87.2 t -136.73 119.09 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.483 ' CD1' HG22 ' A' ' 44' ' ' VAL . 42.2 mm -67.65 106.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD2' HD13 ' A' ' 70' ' ' LEU . 18.6 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -53.47 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -35.47 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.68 -56.01 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 75.8 t -52.44 -42.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -51.43 -57.23 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.32 -37.04 76.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 5.4 tp -54.71 -71.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.4 m-85 -47.19 -34.97 6.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -70.36 -40.48 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -60.71 -47.14 87.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -58.0 -57.98 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.5 t80 -43.09 -54.22 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.87 -59.77 7.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.24 -44.45 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.76 84.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 20' ' ' TYR . 14.3 mt -69.28 -9.83 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.73 19.92 67.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.84 -176.73 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.97 19.4 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.75 152.2 67.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 31' ' ' LEU . 54.0 t -126.54 140.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' N ' HG11 ' A' ' 30' ' ' VAL . 9.0 mt -60.19 146.97 41.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.519 HG13 ' CE1' ' A' ' 34' ' ' TYR . 57.9 t -93.15 122.2 63.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 56.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.519 ' CE1' HG13 ' A' ' 32' ' ' VAL . 86.4 m-85 -42.0 -42.04 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -41.39 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 87.3 mt -76.85 -66.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 mt -40.11 -36.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -54.55 43.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.7 -39.42 73.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.0 t -109.12 100.81 42.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.09 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.12 49.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.46 -53.81 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 80' ' ' ILE . 49.1 t -138.9 140.45 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -98.53 127.52 44.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG23 ' CE2' ' A' ' 55' ' ' PHE . 55.3 t -117.07 125.38 73.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -145.11 173.19 12.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.46 -26.98 11.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 mt -44.67 161.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.35 147.33 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 0.7 OUTLIER 70.85 33.37 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.249 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 52' ' ' ASP . 16.9 mt -156.47 118.91 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CE2' HG23 ' A' ' 46' ' ' VAL . 3.2 t80 -128.32 95.01 4.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASN . 7.1 mtt-85 -141.53 175.24 9.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.5 t30 -39.74 137.3 1.13 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.586 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.96 -12.53 21.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -88.88 68.39 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.45 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.586 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.7 m-85 -49.3 177.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' ILE . 21.4 m-20 -113.55 159.28 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.96 -36.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.62 -72.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' CG ' HD11 ' A' ' 53' ' ' ILE . 16.1 mtt85 -45.62 -45.15 13.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -53.39 -41.77 66.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.078 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.25 -52.96 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -45.15 -51.75 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 mt -55.26 -54.36 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.234 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' A' ' 8' ' ' LEU . 17.3 mt -57.21 -31.49 65.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.18 -24.53 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 109.375 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.97 27.37 9.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.74 -31.73 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.18 -33.83 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -75.11 -41.84 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 t -47.81 130.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.6 tpt180 -146.53 136.71 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 56.2 mtt -112.32 143.86 42.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.68 118.41 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 44' ' ' VAL . 26.2 mm -67.25 105.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mm . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 70' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -43.12 -61.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.89 -42.27 79.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.41 -47.38 72.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.2 t -64.87 -37.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.234 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 16.4 mtmt -56.27 -59.72 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 3.1 mm-40 -57.21 -32.54 66.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tp -58.6 -65.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -52.66 -41.75 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 13' ' ' LYS . 2.3 m-20 -65.52 -43.35 90.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.5 mm-40 -57.52 -45.16 85.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.232 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -59.16 -58.44 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.568 ' CD2' HD11 ' A' ' 24' ' ' LEU . 2.1 t80 -43.13 -52.05 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.93 -56.32 14.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.16 -46.65 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.45 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 20' ' ' TYR . 16.1 mt -71.37 -6.82 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.61 70.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mt -103.18 -175.84 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -122.72 22.87 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -141.54 150.17 56.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.49 11.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 31' ' ' LEU . 72.6 t -122.65 141.41 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' HG11 ' A' ' 30' ' ' VAL . 8.9 mt -57.26 159.73 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 34' ' ' TYR . 44.9 t -106.34 118.63 54.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.02 59.31 5.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' HG11 ' A' ' 32' ' ' VAL . 85.1 m-85 -42.95 -45.99 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -47.23 -43.06 21.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.72 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -45.3 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -69.01 -56.96 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.63 -23.79 60.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -123.53 93.47 47.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.69 21.33 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.59 46.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.71 -53.81 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 80' ' ' ILE . 61.0 t -136.28 143.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -103.3 128.57 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.591 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 53.4 t -115.86 124.86 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -145.6 173.25 12.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.27 -27.71 9.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -43.28 164.55 0.13 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.04 33.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.68 148.83 41.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 65.92 30.95 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mt -149.83 116.93 3.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.591 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 8.3 t80 -126.76 95.23 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.4 mtm180 -140.32 168.07 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' CG2' ' A' ' 60' ' ' THR . 7.5 p-10 -39.98 138.98 1.03 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.58 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.514 1.797 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -97.22 52.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -165.69 -40.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.4 m-85 -45.01 171.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -109.7 176.77 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.396 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -35.5 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -69.34 -72.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -43.66 -47.34 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.75 -43.19 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.57 -47.14 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -49.91 -58.81 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 mt -48.03 -49.44 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 8' ' ' LEU . 20.2 mt -60.03 -35.21 74.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -22.39 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.5 18.35 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -59.6 -31.71 69.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.23 -19.79 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -90.98 -41.19 11.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.7 t -49.23 130.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -146.68 138.03 24.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 58.1 mtt -109.71 144.58 37.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.46 120.47 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 44' ' ' VAL . 33.4 mm -67.95 106.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 70' ' ' LEU . 10.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.5 tpp180 -38.7 -63.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.81 -51.09 54.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -48.8 -47.06 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 66' ' ' LEU . 38.5 t -63.42 -43.09 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.21 -57.9 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.5 mm-40 -59.19 -33.97 71.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.6 tp -58.05 -67.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.2 m-85 -51.74 -40.26 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.62 -40.29 88.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 109.376 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -61.85 -47.28 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -56.02 -55.39 33.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.15 -50.54 15.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.94 -56.9 16.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.02 -40.25 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.1 79.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.8 mt -72.48 -5.89 39.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.22 17.79 79.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -95.08 -172.98 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.92 23.82 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -143.43 151.55 54.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.756 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 31' ' ' LEU . 74.6 t -122.6 141.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -57.59 156.82 7.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.559 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 56.1 t -105.6 118.78 54.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 71.76 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 39.2 m-85 -55.72 -41.45 73.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -46.5 61.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.192 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 38' ' ' ARG . 85.7 mt -70.16 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 mt -43.48 -28.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 10.9 tpp180 -67.77 -58.18 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.64 -28.65 66.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 t -119.48 95.29 49.17 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 110.073 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -12.47 21.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.79 47.25 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.16 -53.99 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 80' ' ' ILE . 39.0 t -138.23 141.39 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -101.84 133.83 45.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 55' ' ' PHE . 61.7 t -118.77 122.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 p -139.15 172.54 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 89.5 -25.44 10.99 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.456 1.098 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.9 mt -42.57 163.74 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 0.726 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 152.79 41.09 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -67.64 142.19 56.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.84 31.84 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.484 HG21 ' CG ' ' A' ' 65' ' ' ARG . 42.1 mt -148.41 118.54 4.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -130.93 97.26 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -139.5 176.23 8.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.8 OUTLIER -39.63 130.2 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.54 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.07 -3.97 14.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.559 1.821 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 20.3 p30 -96.83 63.13 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -176.24 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.6 m-85 -44.95 171.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -115.89 167.72 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -41.03 -33.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.4 ' N ' HG23 ' A' ' 63' ' ' ILE . 29.2 m-70 -67.28 -73.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.636 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 0.3 OUTLIER -44.7 -46.79 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 12' ' ' VAL . 94.9 mt -59.95 -49.35 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.3 mm-40 -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' LYS . 8.3 mttt -49.02 -61.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 20.9 mt -47.11 -47.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 8' ' ' LEU . 23.0 mt -62.14 -32.32 72.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.2 mtpt -71.55 -23.05 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.45 21.51 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -56.77 -34.88 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -32.55 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.078 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -75.69 -41.9 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.542 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 t -46.17 131.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' MET . 3.7 tpp85 -147.57 135.52 21.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.42 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 55.0 mtt -108.89 143.34 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.37 120.25 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.454 ' CD1' HG23 ' A' ' 44' ' ' VAL . 15.7 mm -69.87 107.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 70' ' ' LEU . 25.7 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -40.08 -65.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -44.77 64.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.79 -41.03 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.89 -41.79 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -53.54 -55.67 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.9 mm-40 -60.71 -34.04 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -57.06 -66.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.9 m-85 -53.17 -40.26 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -66.22 -38.0 86.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -63.64 -45.74 88.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -58.73 -51.41 70.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.4 t80 -49.77 -48.74 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.61 17.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.32 -44.53 75.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -35.03 77.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -73.01 -5.4 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.24 23.25 74.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.29 -178.8 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.227 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.24 22.23 11.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.37 151.15 57.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.47 17.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 31' ' ' LEU . 76.2 t -126.78 141.15 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -58.2 154.05 13.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 34' ' ' TYR . 70.6 t -102.2 120.18 54.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 62.33 5.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CE1' HG11 ' A' ' 32' ' ' VAL . 95.3 m-85 -50.08 -41.05 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -49.68 -44.66 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' ASP . 84.4 mt -72.09 -66.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 mt -40.36 -40.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -49.45 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -77.65 -37.58 49.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -108.96 100.97 42.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -14.84 21.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -107.49 52.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.38 -54.93 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 80' ' ' ILE . 43.2 t -138.3 141.61 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -102.51 125.98 49.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG22 ' CE2' ' A' ' 55' ' ' PHE . 47.6 t -113.4 128.15 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 p -145.46 170.4 16.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.14 -23.7 25.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.3 mt -45.76 163.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 150.93 38.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.17 143.71 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 70.61 32.99 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 26.9 mt -150.75 118.27 3.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CE2' HG22 ' A' ' 46' ' ' VAL . 11.6 t80 -127.66 98.53 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.71 177.39 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.199 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -39.17 131.59 1.22 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -14.85 20.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.56 1.821 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -89.77 69.3 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.45 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -46.36 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ILE . 19.0 m-20 -112.12 167.53 10.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' ASP . 1.1 mp -38.91 -70.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' GLU . 33.1 m170 -37.81 -72.83 0.05 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 3.1 mmt85 -40.35 -58.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 14.9 mt -47.33 -42.15 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.3 mm-40 -72.86 -49.25 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 110.354 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -52.6 -52.11 56.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 11.5 mt -58.46 -49.26 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 8' ' ' LEU . 11.5 mt -61.21 -30.66 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' GLU . 11.7 mttt -71.63 -27.48 63.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.68 9.93 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -44.77 -35.63 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.192 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -44.71 59.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -65.69 -39.42 91.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.9 t -45.92 128.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -147.7 135.76 21.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 56.7 mtt -110.16 144.31 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -137.14 117.12 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 44' ' ' VAL . 19.6 mm -67.33 104.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 70' ' ' LEU . 6.7 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CZ ' ' OD1' ' A' ' 59' ' ' ASN . 24.3 ttp180 -46.39 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.72 -49.96 35.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -45.66 -50.51 13.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 42.5 t -68.45 -38.57 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 2.1 mtpt -52.36 -57.27 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.5 mt-10 -59.41 -34.4 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.235 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 69' ' ' ILE . 5.8 tp -58.27 -71.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.7 m-85 -48.14 -40.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 13' ' ' LYS . 4.1 m-20 -66.85 -42.07 86.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.2 mm-40 -59.54 -47.26 86.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -56.58 -53.89 52.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t80 -46.16 -49.96 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.41 19.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.86 -47.04 83.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.19 77.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 20' ' ' TYR . 15.2 mt -70.3 -8.25 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.62 25.66 62.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.55 -172.08 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 0.724 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.81 21.45 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.68 151.59 60.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.7 14.55 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 31' ' ' LEU . 80.5 t -125.32 144.16 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.0 mt -60.62 154.99 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 60.0 t -101.52 119.63 56.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 61.57 5.74 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 62.8 m-85 -44.59 -46.51 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -44.94 -49.81 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.88 -65.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 mt -43.07 -30.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' NH1' ' HD2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -63.13 -57.88 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.41 -37.7 74.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 t -110.36 99.4 40.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -17.29 19.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.95 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 -54.7 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 HG23 ' CD1' ' A' ' 80' ' ' ILE . 25.0 t -141.06 141.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -99.92 133.0 44.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 29.7 t -119.85 129.7 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 p -146.25 174.76 11.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.66 -29.68 7.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.6 mt -45.0 162.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 144.12 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.01 149.17 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 1.1 t0 70.84 29.87 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 52' ' ' ASP . 27.3 mt -154.77 117.8 2.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 4.2 t80 -127.01 96.4 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.2 mtm180 -141.18 176.95 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.7 t-20 -39.09 133.53 1.13 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.569 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 -8.49 20.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.46 ' OD1' ' CZ ' ' A' ' 9' ' ' ARG . 2.1 t30 -93.49 68.88 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.82 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-85 -48.87 174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.0 m-20 -114.94 168.34 10.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 64' ' ' HIS . 1.2 mp -38.8 -70.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' N ' HG21 ' A' ' 63' ' ' ILE . 22.9 m170 -39.16 -72.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.661 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' CG ' HD11 ' A' ' 53' ' ' ILE . 6.3 mtt85 -42.18 -58.58 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.5 mt -46.65 -44.38 18.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.5 -49.8 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -49.42 -51.88 32.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.454 HG12 ' CD2' ' A' ' 49' ' ' LEU . 2.9 mt -54.63 -50.84 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 8' ' ' LEU . 9.0 mt -58.2 -42.62 86.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -65.53 -21.87 66.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' O ' ' CG2' ' A' ' 76' ' ' VAL . . . -111.65 26.71 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -66.07 -34.98 79.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.12 -20.78 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -88.3 -40.57 13.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 55.9 t -48.04 129.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.27 139.81 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.9 mtt -115.12 139.25 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.0 t -131.46 120.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.452 ' CD1' HG23 ' A' ' 44' ' ' VAL . 15.0 mm -70.68 106.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 70' ' ' LEU . 38.1 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -50.76 -54.07 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -42.24 95.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.86 -44.67 82.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -69.35 -44.55 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -50.16 -49.86 50.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.2 mt-10 -65.18 -35.1 80.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -56.44 -65.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 16.6 m-85 -52.48 -42.15 64.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.1 -38.8 91.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.2 mm-40 -62.77 -45.61 91.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -59.1 -53.8 54.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 33' ' ' PRO . 1.8 t80 -47.45 -52.23 17.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.91 -54.78 20.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.09 -47.01 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -32.33 72.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 20' ' ' TYR . 14.2 mt -73.91 -6.09 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.19 76.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -98.63 -174.86 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 21.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -143.84 153.99 58.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.757 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 31' ' ' LEU . 69.8 t -129.34 141.81 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' HG13 ' A' ' 30' ' ' VAL . 8.2 mt -60.06 149.72 31.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 69.4 t -100.5 121.28 53.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.05 68.35 5.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 54.1 m-85 -51.87 -46.81 64.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -46.35 -46.01 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.45 -68.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.9 mt -40.19 -35.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -54.83 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -74.34 -31.82 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 t -113.92 95.01 36.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.01 21.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.23 46.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.91 -51.57 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 80' ' ' ILE . 42.8 t -141.56 140.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.03 46.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.58 HG22 ' CE1' ' A' ' 55' ' ' PHE . 54.5 t -120.44 127.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 p -145.49 168.71 19.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 -21.8 41.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -48.79 163.72 0.32 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 147.19 33.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.416 1.745 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -61.98 144.96 54.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 70.47 33.27 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 41.8 mt -152.25 118.64 3.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -163.56 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 46' ' ' VAL . 16.0 t80 -128.0 96.58 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -142.14 179.87 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.273 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.6 t-20 -39.62 131.19 1.41 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.94 -19.12 18.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -87.99 69.73 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.98 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.4 m-85 -46.22 173.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -108.38 167.05 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -39.41 -70.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.431 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 89.9 m-70 -38.76 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.523 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -41.9 -58.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 18.2 mt -46.28 -48.44 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.14 -53.51 36.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -46.04 -55.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 2.6 mt -51.7 -44.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 8' ' ' LEU . 43.3 mt -62.48 -38.41 89.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -17.6 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' ' CG2' ' A' ' 76' ' ' VAL . . . -117.64 32.54 6.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 36.1 ptt180 -70.72 -33.58 71.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.4 mm-40 -83.86 -21.57 31.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -85.27 -35.32 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 35.5 t -54.51 129.99 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.21 130.2 20.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.167 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 49.8 mtt -106.31 143.45 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 93.6 t -136.57 119.45 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.372 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 44' ' ' VAL . 19.8 mm -70.37 108.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.2 mm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.92 -61.14 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -42.74 67.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -57.19 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.9 t -57.99 -39.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -53.33 -56.81 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -59.78 -33.18 71.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.5 tp -59.16 -70.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 11.9 m-85 -49.29 -38.53 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -68.14 -42.05 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.8 mm-40 -59.31 -46.71 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -56.52 -55.31 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.9 t80 -46.02 -52.99 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.77 -58.2 12.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.363 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.72 78.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -71.58 -8.13 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.56 65.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.08 -172.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -124.13 19.78 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 151.63 59.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.0 16.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 31' ' ' LEU . 60.4 t -123.97 141.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' N ' HG13 ' A' ' 30' ' ' VAL . 9.4 mt -61.36 145.63 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 71.2 t -93.55 120.29 66.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -74.98 61.88 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 78.4 m-85 -45.56 -40.52 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -50.56 -53.04 33.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' ASP . 81.6 mt -62.63 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.2 mt -39.05 -44.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -50.36 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.6 t0 -75.19 -31.23 60.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.1 t -119.74 98.32 49.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 110.071 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -15.81 20.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -104.63 50.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.95 -53.44 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.482 HG22 ' CD1' ' A' ' 80' ' ' ILE . 54.2 t -138.85 143.44 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -104.48 132.62 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG22 ' CE2' ' A' ' 55' ' ' PHE . 57.0 t -119.44 123.01 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -143.21 174.11 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -27.08 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -43.26 164.86 0.12 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.489 0.759 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 144.35 29.82 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.96 145.79 44.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 70.44 31.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 65' ' ' ARG . 47.0 mt -152.18 118.31 3.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 46' ' ' VAL . 5.4 t80 -128.71 101.15 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -143.77 177.51 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.9 t30 -39.76 131.01 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.587 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -13.66 21.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -91.17 72.08 6.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 175.41 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.3 m-85 -48.03 170.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.7 m-20 -110.97 166.5 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -40.29 -38.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -61.39 -73.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -44.49 -53.49 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.352 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.25 -51.5 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.42 -55.12 37.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.0 mmtm -52.69 -61.53 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.4 mt -43.99 -60.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.7 mt -46.65 -33.65 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -72.27 -39.59 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -94.11 16.38 14.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' ILE . 38.3 ptt180 -53.84 -37.41 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.04 -40.75 62.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 110.334 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -67.21 -44.49 79.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -44.29 127.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.0 tpp180 -145.62 135.4 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 55.1 mtt -108.68 144.3 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.64 118.57 22.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.482 ' CD1' HG22 ' A' ' 44' ' ' VAL . 46.6 mm -67.41 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.4 mm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 70' ' ' LEU . 37.6 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -50.11 -60.21 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -38.6 71.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.18 -58.83 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -53.61 -40.86 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 11.9 mtmt -53.78 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 17.1 mt-10 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 5.9 tp -55.19 -71.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 10.2 m-85 -46.83 -41.88 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -64.46 -44.76 90.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.3 mm-40 -55.39 -45.44 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -57.17 -57.61 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.4 t80 -44.8 -55.02 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.5 -54.31 8.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.0 -48.82 80.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.763 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.19 -33.99 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.499 HD12 ' CD2' ' A' ' 20' ' ' TYR . 16.0 mt -71.4 -7.07 44.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.14 15.32 80.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mt -96.66 -179.15 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -120.92 24.18 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.94 149.58 53.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 31' ' ' LEU . 77.4 t -123.05 146.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' N ' HG12 ' A' ' 30' ' ' VAL . 6.2 mt -60.22 155.65 17.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 80.8 t -108.66 116.16 56.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CD2' ' OD1' ' A' ' 57' ' ' ASN . 77.5 m-85 -56.09 -35.83 67.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.93 68.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.44 -46.79 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.69 -21.45 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' TYR . 13.7 tpt85 -72.36 -53.78 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.43 -26.59 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -116.67 92.11 36.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -11.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.24 49.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.43 -54.18 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 80' ' ' ILE . 55.4 t -138.45 145.68 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -105.41 133.18 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 55' ' ' PHE . 58.2 t -120.32 122.29 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -140.97 175.64 9.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.37 -29.85 6.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.0 mt -44.18 163.4 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.799 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.53 31.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.09 143.63 37.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 70.92 34.17 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 HD13 ' CG ' ' A' ' 65' ' ' ARG . 5.7 mt -152.5 117.76 2.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 46' ' ' VAL . 8.2 t80 -134.29 92.7 2.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -137.93 178.44 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' OD1' ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -50.48 128.75 25.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.456 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 58.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.19 8.59 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -37.07 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.3 m-85 -42.54 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ILE . 17.4 m-20 -112.5 164.92 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.42 -34.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -67.9 -72.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.557 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' CG ' HD13 ' A' ' 53' ' ' ILE . 12.9 mtt85 -47.08 -46.97 23.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.7 mt -52.6 -41.16 63.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.47 -54.34 7.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -45.11 -53.08 8.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -54.64 -40.25 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 8' ' ' LEU . 77.1 mt -69.04 -37.42 78.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -11.38 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.52 21.33 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -60.11 -29.31 68.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -25.04 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.58 -47.63 12.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.5 t -43.45 132.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -146.87 139.03 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.445 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 57.8 mtt -110.21 146.37 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 98.7 t -138.92 116.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 44' ' ' VAL . 47.5 mm -66.39 103.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mm . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 70' ' ' LEU . 18.3 mt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -41.44 -52.97 3.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -44.64 89.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -54.15 -42.5 69.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 79.1 t -69.93 -38.63 76.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 12.8 mttt -52.47 -60.84 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.09 -36.56 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 3.6 tp -55.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 16.9 m-85 -47.93 -40.89 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.46 -42.94 91.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.6 -47.52 84.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -58.94 -50.41 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.559 ' CD2' HD12 ' A' ' 24' ' ' LEU . 2.5 t80 -49.45 -49.59 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.17 -58.44 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -53.6 -50.97 64.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.17 69.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 20' ' ' TYR . 11.2 mt -69.18 -10.8 59.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.34 17.65 70.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.97 -169.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.67 18.47 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.95 151.97 69.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 130.27 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 31' ' ' LEU . 77.7 t -122.23 141.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.4 mt -56.86 158.69 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -113.42 116.85 45.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.17 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.15 -37.75 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -37.3 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.57 -58.33 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mt -52.48 -21.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -72.99 -66.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.67 -22.23 66.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -120.24 93.61 48.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -18.51 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.412 1.743 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.13 53.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.23 -49.95 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 80' ' ' ILE . 39.8 t -143.61 143.57 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -102.68 133.65 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 55' ' ' PHE . 62.0 t -118.89 126.6 75.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -140.91 172.66 12.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 88.77 -24.8 11.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.3 mt -43.04 164.37 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.498 ' CG ' ' HB3' ' A' ' 68' ' ' LYS . 18.2 Cg_endo -74.98 172.98 15.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -85.59 140.8 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.45 29.6 4.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 66.8 mt -143.23 117.79 6.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.579 ' CD1' HG11 ' A' ' 46' ' ' VAL . 32.0 t80 -130.24 91.53 3.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASN . 5.2 mtt180 -140.55 171.87 13.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.9 OUTLIER -39.06 137.5 0.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.93 1.23 7.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 59' ' ' ASN . 24.7 p30 -97.05 57.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -170.43 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.3 m-85 -44.8 167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.79 167.54 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -36.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 67' ' ' GLU . 26.6 m80 -67.42 -72.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -46.62 -46.62 19.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 15.9 mt -53.93 -23.88 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.2 mm-40 -94.29 -45.4 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 9.8 mptt -47.82 -66.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.48 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 3.4 mt -44.07 -61.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 8' ' ' LEU . 16.1 mt -48.57 -30.63 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -72.95 -37.24 67.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -98.64 14.98 26.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ILE . 41.4 ptt180 -51.11 -27.71 8.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.91 -45.07 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -67.99 -38.33 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.7 t -44.72 129.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -146.95 136.55 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 53.2 mtt -111.0 143.75 41.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 95.7 t -135.89 119.35 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.452 ' CD1' HG21 ' A' ' 44' ' ' VAL . 21.6 mm -70.58 108.46 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 70' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.81 -54.17 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -40.3 -39.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 44.1 t -71.42 -53.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 4.8 mtpm? -44.05 -44.37 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.5 mt-10 -69.68 -35.03 74.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' VAL . 2.3 tp -58.64 -67.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 17.0 m-85 -48.87 -39.46 25.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 13' ' ' LYS . 6.3 m-20 -68.65 -42.5 77.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.9 mm-40 -59.41 -47.06 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -57.92 -53.02 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.4 t80 -47.71 -50.57 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.47 -55.98 22.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.0 -43.88 86.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.4 84.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.8 mt -70.07 -8.07 46.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.87 15.83 76.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.61 -179.73 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -119.0 20.74 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.39 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.26 151.45 64.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.02 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 31' ' ' LEU . 78.7 t -128.65 140.3 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -55.35 162.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 53.8 t -109.89 120.29 45.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 61.96 5.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 65.0 m-85 -45.44 -48.52 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -44.97 -48.59 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.25 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mt -44.05 -28.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tpm_? -67.15 -66.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.28 -22.32 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -121.92 94.38 48.22 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.31 20.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -107.04 53.72 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.15 -52.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 80' ' ' ILE . 37.9 t -139.6 140.21 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.12 133.4 44.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 55' ' ' PHE . 63.7 t -119.35 127.5 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 p -145.71 170.56 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.42 -22.41 30.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 11.9 mt -43.92 165.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.93 145.04 31.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.9 141.4 57.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 70.39 33.79 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HD3' ' A' ' 65' ' ' ARG . 39.5 mt -150.82 118.21 3.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 46' ' ' VAL . 20.5 t80 -125.16 97.51 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.8 mtt180 -141.5 171.9 13.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.2 t30 -39.02 139.34 0.76 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.92 -11.63 21.65 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -91.69 71.3 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.05 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.2 m-85 -51.55 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ILE . 56.5 m-20 -129.63 172.3 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -40.17 -68.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.461 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 2.4 m-70 -37.88 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 3.2 mmt85 -41.32 -59.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.8 mt -47.91 -37.65 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.3 mm-40 -75.87 -49.29 18.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -55.36 -57.43 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.6 mt -51.88 -44.87 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 8' ' ' LEU . 42.5 mt -65.46 -34.64 78.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' GLU . 12.5 mttt -72.22 -20.8 61.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.99 21.33 15.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -58.93 -37.25 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.09 -25.64 55.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -82.54 -42.71 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.9 t -47.6 127.09 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.7 tpt180 -141.03 137.18 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.1 mtt -112.03 140.59 46.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.0 t -133.04 120.71 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 44' ' ' VAL . 14.4 mm -70.48 103.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -138.66 163.2 32.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 0.717 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.27 146.25 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.78 -121.88 1.65 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.76 100.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.949 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 98.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.76 -48.62 0.62 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 70' ' ' LEU . 13.4 mt -43.93 -50.58 8.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 0.827 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -58.99 1.94 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.81 -42.73 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.52 -47.27 73.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 94.0 t -65.12 -38.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 21.5 mttt -55.33 -57.41 11.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -59.55 -32.32 70.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.85 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.37 -37.81 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -68.95 -39.6 79.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.8 mm-40 -62.25 -47.06 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -57.05 -52.31 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.551 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 1.9 t80 -47.79 -50.32 26.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.48 -56.62 16.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.22 -40.23 77.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 0.744 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.46 91.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.527 HD12 ' CD2' ' A' ' 20' ' ' TYR . 5.0 mt -70.35 -8.35 49.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.96 82.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.05 -178.78 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.92 22.36 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -141.66 153.15 64.69 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.46 20.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 31' ' ' LEU . 61.3 t -130.12 140.36 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' N ' HG13 ' A' ' 30' ' ' VAL . 7.8 mt -55.99 158.34 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.9 t -106.22 119.02 53.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.551 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 61.28 5.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 82.9 m-85 -45.56 -41.06 9.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -48.58 62.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.7 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -42.3 -38.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -56.92 -60.93 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.64 -33.18 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -117.4 89.85 32.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.12 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.81 30.0 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.22 -53.17 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 80' ' ' ILE . 33.8 t -136.22 140.92 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -100.25 133.68 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 55' ' ' PHE . 53.6 t -120.48 127.47 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.9 p -145.97 171.25 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.07 -24.84 22.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.11 163.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.1 Cg_endo -74.97 150.11 37.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.563 1.823 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.1 150.64 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.18 33.97 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 49.1 mt -150.98 118.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.439 1.757 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 46' ' ' VAL . 6.7 t80 -129.19 92.3 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASN . 1.8 mtm-85 -141.08 175.27 9.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' O ' ' CG2' ' A' ' 60' ' ' THR . 2.6 t-20 -39.33 136.31 1.07 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.587 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -91.87 67.99 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.78 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.3 m-85 -49.86 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.32 170.58 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -43.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -60.25 -72.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -45.44 -51.44 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 24.0 mt -49.11 -42.61 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.6 mm-40 -75.56 -48.59 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.12 -53.82 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.05 -50.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 8' ' ' LEU . 13.1 mt -61.5 -32.01 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 67' ' ' GLU . 8.1 mttt -74.56 -7.39 52.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -126.9 21.61 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -60.74 -33.62 73.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.216 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.84 -16.83 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.279 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -93.22 -38.13 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.85 130.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.5 tpp85 -144.16 135.3 25.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.4 mtt -110.0 142.8 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 84.9 t -134.69 120.96 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 44' ' ' VAL . 14.7 mm -70.3 107.19 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.04 -55.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.49 102.54 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -169.57 -60.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 110.226 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m 61.69 126.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.56 155.74 17.05 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.1 m -121.26 162.08 20.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.8 m 47.09 85.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -138.79 137.8 37.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 -62.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.71 -86.7 0.43 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.95 87.07 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 0.701 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.26 103.62 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.73 -51.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 70' ' ' LEU . 13.8 mt -41.3 -51.8 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 0.837 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -44.02 -50.89 8.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.46 -35.53 79.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -67.54 -42.42 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 75.4 t -65.81 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 18.8 mtmt -54.68 -56.79 15.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.6 mm-40 -60.01 -33.06 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 tp -57.9 -66.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -52.51 -38.09 58.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.66 -37.29 79.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.1 mm-40 -64.27 -45.38 88.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -59.23 -53.38 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.573 ' CD2' HD13 ' A' ' 24' ' ' LEU . 2.0 t80 -47.43 -50.86 21.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.89 -55.36 23.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.75 -40.91 85.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.4 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -71.64 -7.07 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 19.08 75.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -95.94 -173.15 2.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -125.04 22.02 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -143.56 152.43 56.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.13 17.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 31' ' ' LEU . 66.3 t -126.37 140.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' HG13 ' A' ' 30' ' ' VAL . 7.8 mt -56.4 156.92 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.537 HG13 ' CE1' ' A' ' 34' ' ' TYR . 45.7 t -105.96 118.99 53.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 62.24 5.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CE1' HG13 ' A' ' 32' ' ' VAL . 92.6 m-85 -46.78 -42.97 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.47 -45.56 36.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -66.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 mt -40.5 -37.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.07 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -36.93 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -111.51 97.8 37.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.942 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.95 46.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.57 -54.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 80' ' ' ILE . 39.5 t -139.08 141.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -100.63 133.25 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG22 ' CE2' ' A' ' 55' ' ' PHE . 65.2 t -119.13 123.37 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 p -141.43 172.15 13.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.51 -24.91 17.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.138 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.69 163.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 153.63 41.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.73 143.17 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t0 70.14 34.91 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 49.2 mt -151.88 119.0 3.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE2' HG22 ' A' ' 46' ' ' VAL . 17.2 t80 -127.9 93.35 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.3 mtt180 -141.34 173.23 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.8 t-20 -39.6 137.33 1.09 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.58 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -7.11 18.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -92.82 68.06 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 179.16 -36.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.8 m-85 -47.5 174.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -111.06 162.25 15.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.68 -34.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -68.94 -72.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -44.26 -47.08 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.0 mt -52.7 -45.54 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.71 -53.0 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -46.79 -58.57 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.361 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 mt -48.87 -52.79 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD1' HD22 ' A' ' 8' ' ' LEU . 12.2 mt -58.97 -29.47 67.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -23.32 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.34 26.51 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -62.34 -33.83 75.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.25 -32.18 49.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -75.52 -42.75 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.081 . . . . 0.0 109.588 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.8 t -44.67 131.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 132.15 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 54.4 mtt -107.24 143.19 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.6 t -135.98 117.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' A' ' 44' ' ' VAL . 16.4 mm -68.34 100.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.83 -60.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.27 109.8 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -42.16 135.18 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.7 -59.27 2.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 110.063 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.99 122.48 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.2 p -168.05 115.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.6 p -179.09 124.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -60.34 148.78 35.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -107.84 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.63 157.52 9.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m 64.09 146.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 0.726 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 98.67 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.76 -49.72 6.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.539 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 7.7 mt -40.82 -45.53 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -53.06 -66.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 3.5 mt-10 -48.36 -42.32 31.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -54.13 -53.64 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.59 -36.0 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' CE ' ' HG2' ' A' ' 10' ' ' GLU . 46.8 mtmt -54.0 -58.17 8.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mt-10 -58.95 -33.24 70.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.2 tp -58.19 -67.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.2 m-85 -51.31 -42.85 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 13' ' ' LYS . 3.4 m-20 -63.9 -41.97 97.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.3 mm-40 -59.39 -49.91 76.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -53.47 -53.57 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.3 -51.62 14.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.79 -56.04 17.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.82 -45.93 81.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.4 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.32 -4.98 42.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.98 79.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mt -97.31 -176.15 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 0.704 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -122.32 24.0 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -146.9 154.56 47.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.85 24.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 31' ' ' LEU . 71.3 t -132.33 142.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' N ' HG11 ' A' ' 30' ' ' VAL . 9.8 mt -61.98 146.93 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.537 HG11 ' CE1' ' A' ' 34' ' ' TYR . 76.3 t -95.58 119.38 65.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.6 Cg_endo -75.02 61.4 5.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CE1' HG11 ' A' ' 32' ' ' VAL . 87.3 m-85 -46.65 -41.41 14.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.61 -34.64 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.2 mt -82.22 -64.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.0 mt -43.95 -30.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -52.27 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.17 -32.96 56.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -112.42 95.93 33.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.33 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -107.02 48.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.01 -53.89 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 80' ' ' ILE . 44.6 t -138.77 140.2 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -100.15 129.1 46.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG22 ' CE2' ' A' ' 55' ' ' PHE . 52.1 t -117.28 127.03 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -145.72 174.26 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.02 -28.29 8.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.639 1.212 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -43.07 163.6 0.15 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.4 31.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.53 146.88 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t0 70.54 29.95 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.5 mt -150.76 118.33 3.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE2' HG22 ' A' ' 46' ' ' VAL . 4.2 t80 -128.11 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.82 179.24 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' O ' ' CG2' ' A' ' 60' ' ' THR . 3.3 t-20 -39.69 129.27 1.47 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.6 Cg_endo -74.87 -11.76 21.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.17 68.17 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.95 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -45.62 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -101.1 158.04 16.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -40.5 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' N ' HG23 ' A' ' 63' ' ' ILE . 59.2 m170 -67.15 -72.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -46.48 -45.27 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.1 -41.38 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.44 -47.74 63.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -57.4 -49.3 76.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.41 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 4.5 mt -56.44 -50.31 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 8.9 mt -56.69 -45.65 81.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.84 -27.18 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' O ' ' CG2' ' A' ' 76' ' ' VAL . . . -103.01 23.73 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -67.83 -38.62 83.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -17.26 58.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -92.64 -38.95 11.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 37.4 t -49.95 131.05 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.51 133.0 20.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 57.7 mtt -108.24 143.9 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.0 t -136.73 118.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 44' ' ' VAL . 20.3 mm -67.96 101.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm -72.34 -48.28 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -142.85 140.59 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -127.89 152.88 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -165.67 107.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.66 110.6 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 84.68 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.79 169.02 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -147.56 -60.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.27 91.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -134.25 140.66 46.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.61 -131.52 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -49.57 125.34 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -168.87 -62.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.14 -64.64 0.73 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.579 1.174 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 70' ' ' LEU . 60.5 mt -48.58 -42.17 32.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -55.01 -52.55 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -24.56 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.05 -34.23 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.6 t -76.21 -42.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -53.77 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -62.39 -32.2 72.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.7 tp -60.38 -69.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.9 m-85 -50.88 -36.01 35.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -70.94 -40.92 71.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -61.4 -47.9 83.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -56.75 -52.4 65.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 2.3 t80 -47.29 -49.84 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.21 -57.97 14.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -56.4 -40.03 73.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.0 89.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.1 mt -70.53 -9.47 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.192 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.39 80.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.41 -174.02 3.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.96 21.26 9.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -140.12 151.39 64.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.05 13.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 31' ' ' LEU . 72.1 t -125.08 141.18 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.9 mt -57.84 161.43 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.6 t -109.34 120.38 45.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CD2' ' ND2' ' A' ' 57' ' ' ASN . 65.8 m-85 -44.36 -48.77 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -44.84 -46.41 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.84 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.6 mt -41.85 -31.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -57.78 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -28.15 62.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -116.68 96.32 48.15 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.6 53.33 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.56 -53.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG21 ' CD1' ' A' ' 80' ' ' ILE . 30.9 t -138.73 139.86 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -100.15 133.73 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 55' ' ' PHE . 54.3 t -119.59 126.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 p -143.16 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.6 -24.99 12.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 13.5 mt -44.56 164.26 0.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HG3' ' N ' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.07 149.61 36.66 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.95 143.87 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.29 30.99 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 44.4 mt -149.15 118.44 3.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CE1' HG22 ' A' ' 46' ' ' VAL . 2.9 t80 -129.69 94.25 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.2 mtm180 -140.86 177.33 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -39.7 135.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 -8.93 20.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -92.02 71.24 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.32 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.462 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.7 m-85 -51.7 172.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.59 168.71 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -39.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -62.95 -72.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.6 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -46.3 -47.26 18.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.9 mt -55.5 -44.38 76.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.84 -53.16 16.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -49.11 -57.49 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 26.6 mt -53.6 -39.34 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 8' ' ' LEU . 28.9 mt -68.26 -34.59 76.48 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -21.27 63.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.88 25.79 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -62.14 -34.12 75.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.26 -26.96 42.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.23 -41.35 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.0 t -46.76 127.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -139.71 137.95 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.5 mtt -112.93 140.69 47.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 89.7 t -133.04 120.3 40.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.45 ' CD1' HG21 ' A' ' 44' ' ' VAL . 15.5 mm -69.84 107.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.0 -57.4 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -137.77 95.87 3.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ASN . 4.4 tt0 -39.25 134.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.0 p -179.87 107.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.38 112.25 1.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.46 6.07 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.572 1.827 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.56 157.25 45.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.058 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 178.6 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 106.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.907 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -52.29 114.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.27 -94.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.3 125.75 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 95.8 p -88.75 96.67 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -76.87 -53.53 5.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -39.0 -49.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -48.19 -54.39 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.05 -42.05 76.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -53.08 -49.23 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 77.7 t -66.84 -40.97 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -51.56 -55.17 20.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mm-40 -61.0 -35.4 76.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.55 -67.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -51.31 -41.43 60.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.36 -38.78 91.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mm-40 -62.3 -45.46 93.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 76' ' ' VAL . 72.2 mmtt -61.76 -54.66 39.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.611 1.195 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 t80 -44.93 -51.87 9.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.98 -58.7 8.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.69 -46.36 74.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.03 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 20' ' ' TYR . 15.0 mt -73.51 -8.74 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 24.31 62.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.14 -172.51 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.28 18.25 9.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.76 156.15 69.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.91 14.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 31' ' ' LEU . 60.5 t -125.06 140.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -58.91 152.58 19.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.8 t -102.43 122.46 46.36 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.97 67.12 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.0 m-85 -52.95 -46.72 68.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -39.6 9.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.063 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.6 mt -76.42 -68.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.4 mt -40.06 -40.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -54.77 -51.68 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.22 -32.7 56.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.52 95.62 32.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.049 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.01 19.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -113.73 50.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.99 -53.02 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 80' ' ' ILE . 38.7 t -139.18 139.42 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.6 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.578 HG22 ' CE1' ' A' ' 55' ' ' PHE . 51.5 t -121.55 129.57 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -144.08 172.69 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.13 -26.39 13.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 mt -45.12 163.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 146.04 32.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.87 146.49 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.26 29.95 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 54.2 mt -150.43 118.73 3.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.578 ' CE1' HG22 ' A' ' 46' ' ' VAL . 6.5 t80 -126.65 93.6 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.9 mtt180 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -39.02 139.97 0.72 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -6.57 18.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -93.11 67.85 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.85 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.2 m-85 -49.39 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.67 162.06 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -41.45 -36.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' N ' HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -66.45 -73.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.619 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.5 mtt85 -43.59 -48.92 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 19.8 mt -49.99 -48.01 52.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.01 -54.4 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -46.19 -57.05 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.21 -56.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 8' ' ' LEU . 8.2 mt -54.87 -36.14 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -69.32 -24.93 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.68 29.69 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.69 -31.68 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.26 23.9 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -135.43 -45.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' O ' ' CE ' ' A' ' 19' ' ' LYS . 27.8 t -40.53 130.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' MET . 9.2 tpt180 -138.25 137.32 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 53.5 mtt -113.65 142.0 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.4 t -135.43 119.48 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' CD1' HG23 ' A' ' 44' ' ' VAL . 17.5 mm -69.29 105.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.0 mm -77.11 -60.48 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -145.99 93.86 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -65.79 134.32 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -160.84 90.93 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.18 120.44 1.86 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.549 1.156 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 167.78 26.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.427 1.751 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -72.53 136.45 45.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.09 152.46 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -117.02 110.74 18.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.23 155.32 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -102.23 2.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 47.35 93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -100.55 108.84 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.46 -52.07 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 70' ' ' LEU . 23.5 mt -41.87 -47.51 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -47.11 -52.3 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.12 -44.64 92.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -60.02 -30.98 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 99.6 t -77.04 -37.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -54.56 -58.73 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.35 -32.79 68.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.7 tp -59.15 -69.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 11.4 m-85 -50.82 -37.5 43.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -68.89 -40.88 78.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.3 mm-40 -60.59 -47.17 87.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -57.67 -55.57 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 1.9 t80 -45.77 -50.65 13.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.9 -58.59 11.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.13 84.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.58 -8.33 53.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.02 20.76 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -94.7 -174.53 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.74 21.59 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -144.98 154.14 54.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.26 21.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 31' ' ' LEU . 61.8 t -127.96 140.43 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.467 ' N ' HG11 ' A' ' 30' ' ' VAL . 8.2 mt -58.91 149.85 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.199 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 34' ' ' TYR . 55.9 t -100.17 116.85 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.5 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 32' ' ' VAL . 89.9 m-85 -45.4 -37.54 5.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -53.55 -44.74 69.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.51 -65.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.0 mt -40.81 -35.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -54.33 42.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.65 -25.37 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 t -123.57 95.31 45.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.3 21.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.66 50.02 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.87 -51.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 80' ' ' ILE . 75.5 t -135.66 142.52 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 5.8 tt0 -103.2 126.68 50.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 56.2 t -115.2 124.63 71.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 p -144.97 172.76 12.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.75 -25.84 10.72 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.59 1.181 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.19 163.81 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.435 0.727 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 146.71 32.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.416 1.745 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 142.76 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.23 35.58 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.487 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -152.59 118.72 3.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -129.3 91.42 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASN . 51.2 mmt-85 -138.92 173.26 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.3 t30 -39.29 136.61 1.05 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -97.95 69.71 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.51 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.47 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-85 -50.64 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . 37.4 t70 -124.28 170.01 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.72 -66.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.417 ' N ' HG22 ' A' ' 63' ' ' ILE . 48.9 m-70 -39.09 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -44.83 -59.99 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt -44.45 -36.96 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.2 mm-40 -78.53 -53.93 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.8 mttm -47.97 -62.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 21.1 mt -46.44 -53.81 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' HD22 ' A' ' 8' ' ' LEU . 10.1 mt -59.3 -28.33 66.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -74.42 -33.66 63.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.11 10.38 41.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -43.19 -39.07 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.6 -46.85 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -61.65 -44.59 96.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.5 t -45.35 129.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 78' ' ' MET . 7.8 tpt180 -145.5 136.92 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -110.9 144.44 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.49 118.97 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 44' ' ' VAL . 47.7 mm -67.45 92.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.471 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 17.2 mm -48.4 -63.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.98 -153.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 80' ' ' ILE . 0.2 OUTLIER 69.39 148.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -114.53 -50.99 2.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.87 152.18 21.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.6 38.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.3 t -153.3 157.8 40.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t 63.75 157.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.35 131.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -76.41 91.0 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.81 -136.94 3.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -91.45 131.76 36.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.949 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.59 84.49 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.81 7.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -40.99 -48.29 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -45.95 -56.8 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.26 67.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.84 -44.01 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -50.96 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -64.47 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 1.4 tp -57.82 -65.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.1 m-85 -52.96 -39.52 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -67.55 -39.21 84.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.6 mm-40 -62.1 -47.22 85.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -55.59 -58.99 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.449 ' N ' ' SD ' ' A' ' 78' ' ' MET . 2.9 t80 -44.5 -50.26 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.05 -55.29 15.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.579 1.175 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.32 -40.84 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.47 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.71 -8.0 48.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.65 16.81 76.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.39 -168.16 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.225 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.76 21.83 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -146.95 157.52 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.06 28.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 31' ' ' LEU . 79.1 t -137.54 140.87 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' N ' HG11 ' A' ' 30' ' ' VAL . 7.8 mt -56.39 158.34 4.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.53 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 64.8 t -109.66 118.92 49.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 66.7 6.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 77.1 m-85 -51.21 -41.72 60.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -45.86 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.06 -64.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mt -42.09 -32.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 109.347 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -62.3 -56.39 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -127.52 89.31 51.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -7.61 19.37 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.31 31.9 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.23 -50.02 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.227 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 80' ' ' ILE . 25.9 t -137.74 140.19 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -98.58 128.7 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.582 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 54.6 t -115.8 127.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -146.12 171.56 14.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 -27.48 10.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.1 mt -44.34 163.57 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 143.79 29.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -59.71 144.75 47.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 4.7 t0 71.21 33.92 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 52' ' ' ASP . 21.8 mt -155.07 117.26 2.41 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.582 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 8.9 t80 -127.54 98.9 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ASN . 54.3 mmt-85 -139.76 177.17 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' O ' ' CG2' ' A' ' 60' ' ' THR . 15.0 t30 -39.92 130.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.578 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.95 -13.75 21.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.32 70.33 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.16 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.7 m-85 -47.53 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.04 -43.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -58.61 -72.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 109.7 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.22 -52.96 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 17.3 mt -49.92 -45.87 51.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.0 mm-40 -69.45 -53.16 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -48.43 -51.48 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 3.0 mt -56.82 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.54 -37.43 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -67.59 -12.51 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.78 14.79 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -51.84 -32.06 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.54 -40.79 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.53 -40.74 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -46.98 127.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.1 tpt180 -145.43 136.62 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.3 mtt -111.58 141.51 45.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.6 116.83 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 44' ' ' VAL . 8.8 mm -67.55 102.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.02 -50.72 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -139.14 98.91 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.74 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 t 45.8 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.59 99.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 165.77 30.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.92 168.1 26.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -121.21 169.27 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.937 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.896 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -58.47 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -57.68 135.0 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.7 -62.09 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -173.78 95.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -60.18 105.91 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -51.56 3.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 70' ' ' LEU . 11.2 mt -43.06 -52.12 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.237 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -38.92 -57.93 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.66 77.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -53.45 -54.53 35.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 79.0 t -53.45 -44.73 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.07 -57.16 11.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.0 mm-40 -59.57 -34.04 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 69' ' ' ILE . 3.3 tp -57.16 -68.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.6 m-85 -50.32 -42.68 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -64.09 -41.88 97.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -59.7 -46.93 87.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -57.26 -53.73 54.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.0 t80 -47.31 -51.42 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.08 -57.78 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.1 -42.23 76.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 20' ' ' TYR . 15.7 mt -72.3 -9.04 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 15.66 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mt -93.87 -174.17 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.86 22.7 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -143.56 151.87 55.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.26 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.439 1.757 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 31' ' ' LEU . 71.1 t -126.16 142.22 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' HG13 ' A' ' 30' ' ' VAL . 8.3 mt -58.95 155.89 12.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 75.8 t -102.79 121.51 49.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.04 59.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 80.3 m-85 -43.63 -42.01 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -49.82 -53.24 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.4 -66.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.5 mt -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -54.89 -54.44 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.92 -41.04 75.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.4 t -108.98 102.19 47.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.11 14.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -99.74 53.41 0.93 Allowed 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.419 1.074 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.47 -52.87 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 HG22 ' CD1' ' A' ' 80' ' ' ILE . 38.7 t -138.9 140.87 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.85 133.63 45.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 54.9 t -119.96 127.69 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.7 p -145.22 169.43 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.26 -23.64 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 mt -46.26 163.36 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.4 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.96 145.75 31.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.89 142.49 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 70.78 35.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 42.7 mt -152.99 118.0 2.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 8.1 t80 -127.6 95.41 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.3 mtt180 -140.72 173.02 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.8 t-20 -38.48 135.02 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 -8.85 20.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.76 67.84 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.81 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.2 m-85 -48.87 174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -111.49 162.97 14.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -41.29 -36.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -73.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.504 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.3 mtt85 -44.3 -48.05 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -53.22 -46.19 69.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.1 mm-40 -68.58 -55.25 12.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -44.69 -50.14 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' A' ' 15' ' ' LEU . 5.2 mt -57.77 -55.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD1' HD23 ' A' ' 8' ' ' LEU . 18.2 mt -55.77 -32.14 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -71.48 -22.93 61.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.5 22.06 14.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.69 -29.91 70.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -18.14 37.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -92.4 -40.01 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.1 t -46.16 130.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.78 130.21 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.3 mtt -107.3 142.33 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 96.9 t -135.91 120.72 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 44' ' ' VAL . 14.6 mm -71.25 106.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -76.48 -55.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -136.18 121.91 19.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.56 155.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.8 p -142.65 -64.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 110.057 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 128.81 103.37 1.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 144.98 31.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -140.84 133.37 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -58.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 m 67.65 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m 61.09 85.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.61 -133.4 4.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 50.32 95.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.74 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -70.13 92.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.45 -45.71 1.41 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 70' ' ' LEU . 17.4 mt -43.01 -53.34 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 0.717 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.72 -64.09 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -50.42 62.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.95 -49.38 40.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 68.3 t -61.27 -45.15 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -50.94 -54.77 21.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.3 mt-10 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.6 tp -57.04 -67.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.6 m-85 -51.94 -38.43 56.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.2 -37.89 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.5 mm-40 -63.84 -46.07 86.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -57.76 -53.66 55.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 3.2 t80 -46.84 -50.66 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.25 -55.77 17.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.167 . . . . 0.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.44 -41.8 85.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.82 85.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' CE2' ' A' ' 20' ' ' TYR . 15.9 mt -71.57 -6.79 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.34 77.66 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.76 -176.86 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.15 22.44 10.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -142.27 153.1 62.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.55 20.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 31' ' ' LEU . 71.7 t -131.9 141.86 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' HG12 ' A' ' 30' ' ' VAL . 8.0 mt -57.11 153.54 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.558 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 77.2 t -102.83 118.98 57.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 64.55 6.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.0 m-85 -51.31 -42.43 61.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -47.91 -43.15 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.98 -65.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 mt -40.67 -37.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -52.2 66.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.98 -35.82 62.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.19 98.15 41.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -16.33 20.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 11.9 t70 -104.37 49.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.42 -52.53 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 80' ' ' ILE . 48.3 t -138.37 141.27 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -101.45 128.81 47.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 55' ' ' PHE . 54.1 t -116.98 123.18 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -142.22 172.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.356 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.95 -25.11 14.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.7 mt -44.85 163.67 0.19 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 148.43 35.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -64.06 144.08 57.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t70 70.61 30.62 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG3' ' A' ' 65' ' ' ARG . 42.1 mt -148.63 119.45 4.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 46' ' ' VAL . 6.0 t80 -130.38 97.15 4.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.5 mtt180 -141.43 175.3 9.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.3 t-20 -39.62 135.35 1.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 -8.88 20.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -93.42 72.84 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' TYR . 0.0 OUTLIER 174.27 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.0 m-85 -50.74 -175.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.62 -179.39 4.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.77 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -63.58 -73.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.573 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HG3' ' CD1' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -43.26 -50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 15.6 mt -54.13 -56.38 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.15 -59.73 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.9 mmtm -41.19 -63.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 4.1 mt -45.16 -51.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' CD1' HD22 ' A' ' 8' ' ' LEU . 15.2 mt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.5 mttt -70.23 -16.69 63.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.2 16.8 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -54.94 -34.34 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -28.52 46.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.222 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -80.92 -40.59 24.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 37.8 t -49.72 130.78 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -146.02 135.63 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -109.2 144.4 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.1 t -138.7 117.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 44' ' ' VAL . 25.1 mm -66.93 106.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.6 mm -78.59 -55.46 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 5.6 t-20 -137.68 92.82 2.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -63.98 157.51 24.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 t -145.22 -60.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.78 127.32 1.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -178.15 3.98 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.449 1.762 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.56 136.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.066 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -111.71 157.51 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -172.6 161.34 4.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.033 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -167.44 139.29 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.928 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.5 -128.89 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -54.57 168.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.55 99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.023 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.51 -54.32 3.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 70' ' ' LEU . 12.1 mt -40.65 -52.03 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.67 -57.36 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.07 87.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -48.75 -48.83 40.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 75.2 t -61.65 -44.9 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 19.2 mtmt -49.92 -51.52 40.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' GLU . 14.9 mt-10 -63.91 -35.95 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.8 tp -56.15 -68.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.205 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.3 m-85 -49.35 -34.34 15.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -72.63 -35.25 67.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.0 mm-40 -66.73 -42.16 86.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -62.35 -55.49 27.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.545 ' CD2' HD13 ' A' ' 24' ' ' LEU . 3.0 t80 -45.9 -52.7 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.42 -57.66 10.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.54 -46.96 73.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.96 76.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 20' ' ' TYR . 13.9 mt -72.26 -6.85 45.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.31 23.98 69.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -101.73 -175.61 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.7 20.46 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -144.51 155.71 56.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 137.88 22.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 31' ' ' LEU . 52.1 t -129.93 140.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' HG12 ' A' ' 30' ' ' VAL . 8.6 mt -59.38 149.85 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.2 t -97.13 125.59 45.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.06 58.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 75.0 m-85 -43.11 -44.17 4.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.59 -46.36 39.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.7 mt -70.85 -67.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.9 mt -39.4 -40.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -51.45 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -73.03 -43.38 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -109.2 100.6 41.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -12.84 21.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -105.52 43.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.64 -50.95 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 80' ' ' ILE . 40.9 t -137.98 142.47 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 18.6 tt0 -100.48 126.34 46.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG22 ' CE2' ' A' ' 55' ' ' PHE . 50.5 t -115.73 126.69 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 p -144.89 172.99 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -26.18 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.93 163.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 155.76 43.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.4 143.9 53.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 32.65 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 54.1 mt -150.42 118.96 3.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 46' ' ' VAL . 2.8 t80 -127.97 93.64 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASN . 6.5 mtt180 -141.81 175.28 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' A' ' 60' ' ' THR . 4.6 t30 -39.48 138.38 0.96 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.95 -11.24 21.56 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -90.74 70.58 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.66 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.597 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.1 m-85 -50.97 177.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.44 162.94 15.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -41.49 -41.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' N ' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -62.08 -73.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.609 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.5 mtt85 -43.11 -50.46 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.5 mt -49.68 -49.74 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.56 -51.81 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -45.44 -58.79 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 mt -49.22 -57.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 8' ' ' LEU . 15.6 mt -53.26 -29.65 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -73.54 -31.54 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.07 20.51 18.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -54.32 -34.5 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -75.42 -42.88 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -66.0 -43.92 86.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -43.31 130.41 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 78' ' ' MET . 4.7 tpp180 -147.58 135.61 21.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.408 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 56.7 mtt -111.35 143.3 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.4 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 87.2 t -136.73 119.09 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.483 ' CD1' HG22 ' A' ' 44' ' ' VAL . 42.2 mm -67.65 106.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -79.08 -47.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -149.42 104.62 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.77 161.43 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -179.33 113.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.7 137.81 2.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 156.44 43.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -131.2 136.11 47.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.8 p -167.31 113.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.9 102.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 67.05 102.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.97 -71.17 0.4 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 t -84.08 -71.02 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p 52.55 94.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.76 61.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD2' HD13 ' A' ' 70' ' ' LEU . 18.6 mt -43.7 -46.12 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -53.47 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -35.47 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.68 -56.01 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 75.8 t -52.44 -42.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -51.43 -57.23 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.32 -37.04 76.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 5.4 tp -54.71 -71.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.4 m-85 -47.19 -34.97 6.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -70.36 -40.48 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -60.71 -47.14 87.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -58.0 -57.98 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.5 t80 -43.09 -54.22 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.87 -59.77 7.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.24 -44.45 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.76 84.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 20' ' ' TYR . 14.3 mt -69.28 -9.83 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.73 19.92 67.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.84 -176.73 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.97 19.4 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.75 152.2 67.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 31' ' ' LEU . 54.0 t -126.54 140.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' N ' HG11 ' A' ' 30' ' ' VAL . 9.0 mt -60.19 146.97 41.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.519 HG13 ' CE1' ' A' ' 34' ' ' TYR . 57.9 t -93.15 122.2 63.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 56.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.519 ' CE1' HG13 ' A' ' 32' ' ' VAL . 86.4 m-85 -42.0 -42.04 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -41.39 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 87.3 mt -76.85 -66.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.3 mt -40.11 -36.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -54.55 43.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.7 -39.42 73.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.0 t -109.12 100.81 42.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.09 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.12 49.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.46 -53.81 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 80' ' ' ILE . 49.1 t -138.9 140.45 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -98.53 127.52 44.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG23 ' CE2' ' A' ' 55' ' ' PHE . 55.3 t -117.07 125.38 73.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -145.11 173.19 12.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.46 -26.98 11.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 mt -44.67 161.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.35 147.33 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 0.7 OUTLIER 70.85 33.37 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.249 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 52' ' ' ASP . 16.9 mt -156.47 118.91 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CE2' HG23 ' A' ' 46' ' ' VAL . 3.2 t80 -128.32 95.01 4.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASN . 7.1 mtt-85 -141.53 175.24 9.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.5 t30 -39.74 137.3 1.13 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.586 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.96 -12.53 21.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -88.88 68.39 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.45 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.586 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.7 m-85 -49.3 177.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' ILE . 21.4 m-20 -113.55 159.28 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.96 -36.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.62 -72.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' CG ' HD11 ' A' ' 53' ' ' ILE . 16.1 mtt85 -45.62 -45.15 13.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -53.39 -41.77 66.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.078 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.25 -52.96 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -45.15 -51.75 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 mt -55.26 -54.36 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.234 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' A' ' 8' ' ' LEU . 17.3 mt -57.21 -31.49 65.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.18 -24.53 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 109.375 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.97 27.37 9.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.74 -31.73 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.18 -33.83 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -75.11 -41.84 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 t -47.81 130.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.6 tpt180 -146.53 136.71 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 56.2 mtt -112.32 143.86 42.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.68 118.41 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 44' ' ' VAL . 26.2 mm -67.25 105.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mm -76.34 -49.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -144.23 162.59 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.16 150.74 22.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.02 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.69 164.46 12.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 -68.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 m 61.75 97.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 60.25 -92.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.075 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -110.06 104.56 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -106.01 130.62 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.68 -81.7 0.07 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 55.54 91.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 0.776 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 p 179.02 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.71 -52.24 16.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 70' ' ' LEU . 13.4 mt -43.84 -50.62 7.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -43.12 -61.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.89 -42.27 79.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.41 -47.38 72.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.2 t -64.87 -37.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.234 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 16.4 mtmt -56.27 -59.72 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 3.1 mm-40 -57.21 -32.54 66.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 tp -58.6 -65.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -52.66 -41.75 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 13' ' ' LYS . 2.3 m-20 -65.52 -43.35 90.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.5 mm-40 -57.52 -45.16 85.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.232 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -59.16 -58.44 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.568 ' CD2' HD11 ' A' ' 24' ' ' LEU . 2.1 t80 -43.13 -52.05 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.93 -56.32 14.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.16 -46.65 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.45 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 20' ' ' TYR . 16.1 mt -71.37 -6.82 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.61 70.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mt -103.18 -175.84 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -122.72 22.87 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -141.54 150.17 56.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.49 11.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 31' ' ' LEU . 72.6 t -122.65 141.41 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' N ' HG11 ' A' ' 30' ' ' VAL . 8.9 mt -57.26 159.73 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 34' ' ' TYR . 44.9 t -106.34 118.63 54.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.02 59.31 5.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' HG11 ' A' ' 32' ' ' VAL . 85.1 m-85 -42.95 -45.99 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -47.23 -43.06 21.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.72 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.8 mt -45.3 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -69.01 -56.96 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.63 -23.79 60.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -123.53 93.47 47.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.69 21.33 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.59 46.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.71 -53.81 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG22 ' CD1' ' A' ' 80' ' ' ILE . 61.0 t -136.28 143.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -103.3 128.57 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 53.4 t -115.86 124.86 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -145.6 173.25 12.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.27 -27.71 9.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -43.28 164.55 0.13 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.04 33.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.68 148.83 41.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 65.92 30.95 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.0 mt -149.83 116.93 3.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.591 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 8.3 t80 -126.76 95.23 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.4 mtm180 -140.32 168.07 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' CG2' ' A' ' 60' ' ' THR . 7.5 p-10 -39.98 138.98 1.03 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.58 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.514 1.797 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -97.22 52.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -165.69 -40.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.4 m-85 -45.01 171.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -109.7 176.77 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.396 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -35.5 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -69.34 -72.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -43.66 -47.34 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.75 -43.19 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.57 -47.14 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -49.91 -58.81 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 mt -48.03 -49.44 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 8' ' ' LEU . 20.2 mt -60.03 -35.21 74.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -22.39 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.5 18.35 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -59.6 -31.71 69.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.23 -19.79 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -90.98 -41.19 11.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.7 t -49.23 130.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -146.68 138.03 24.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 58.1 mtt -109.71 144.58 37.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.46 120.47 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 44' ' ' VAL . 33.4 mm -67.95 106.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mm -79.05 -49.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -153.12 93.92 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -62.63 171.07 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.1 t -157.22 -53.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.16 157.48 27.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -64.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.7 109.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -155.16 149.72 26.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.4 -57.22 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.396 0.703 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -147.49 147.42 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.62 109.28 2.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m 53.29 88.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -134.78 87.33 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.95 -48.19 5.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 70' ' ' LEU . 10.5 mt -43.73 -53.67 5.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.5 tpp180 -38.7 -63.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.81 -51.09 54.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -48.8 -47.06 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG21 ' CD2' ' A' ' 66' ' ' LEU . 38.5 t -63.42 -43.09 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.21 -57.9 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.5 mm-40 -59.19 -33.97 71.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.6 tp -58.05 -67.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.2 m-85 -51.74 -40.26 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.62 -40.29 88.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 109.376 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -61.85 -47.28 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -56.02 -55.39 33.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.15 -50.54 15.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.94 -56.9 16.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.02 -40.25 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.1 79.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.8 mt -72.48 -5.89 39.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.22 17.79 79.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -95.08 -172.98 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.92 23.82 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -143.43 151.55 54.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.756 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 31' ' ' LEU . 74.6 t -122.6 141.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -57.59 156.82 7.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.559 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 56.1 t -105.6 118.78 54.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 71.76 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 39.2 m-85 -55.72 -41.45 73.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -46.5 61.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.192 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 38' ' ' ARG . 85.7 mt -70.16 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.8 mt -43.48 -28.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 10.9 tpp180 -67.77 -58.18 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.64 -28.65 66.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 t -119.48 95.29 49.17 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 110.073 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -12.47 21.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.79 47.25 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.16 -53.99 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 80' ' ' ILE . 39.0 t -138.23 141.39 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -101.84 133.83 45.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 55' ' ' PHE . 61.7 t -118.77 122.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 p -139.15 172.54 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 89.5 -25.44 10.99 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.456 1.098 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.9 mt -42.57 163.74 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 0.726 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 152.79 41.09 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -67.64 142.19 56.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.84 31.84 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.484 HG21 ' CG ' ' A' ' 65' ' ' ARG . 42.1 mt -148.41 118.54 4.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -130.93 97.26 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -139.5 176.23 8.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.8 OUTLIER -39.63 130.2 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.54 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.07 -3.97 14.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.559 1.821 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 20.3 p30 -96.83 63.13 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -176.24 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.6 m-85 -44.95 171.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -115.89 167.72 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -41.03 -33.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.4 ' N ' HG23 ' A' ' 63' ' ' ILE . 29.2 m-70 -67.28 -73.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.636 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 0.3 OUTLIER -44.7 -46.79 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 12' ' ' VAL . 94.9 mt -59.95 -49.35 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.3 mm-40 -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' LYS . 8.3 mttt -49.02 -61.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 65' ' ' ARG . 20.9 mt -47.11 -47.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' CD1' HD23 ' A' ' 8' ' ' LEU . 23.0 mt -62.14 -32.32 72.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.2 mtpt -71.55 -23.05 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.45 21.51 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -56.77 -34.88 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -32.55 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.078 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -75.69 -41.9 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.542 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 t -46.17 131.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' MET . 3.7 tpp85 -147.57 135.52 21.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.42 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 55.0 mtt -108.89 143.34 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.37 120.25 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.454 ' CD1' HG23 ' A' ' 44' ' ' VAL . 15.7 mm -69.87 107.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.4 -56.96 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.99 163.83 15.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -80.36 136.24 36.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.58 164.98 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.76 149.06 19.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.48 2.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.6 p -115.56 -51.58 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 t -120.5 122.5 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.69 84.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -112.78 85.12 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.83 -136.51 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.1 111.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.959 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -97.77 97.71 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.55 -49.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.462 1.101 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 70' ' ' LEU . 25.7 mt -41.36 -52.71 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -40.08 -65.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -44.77 64.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.79 -41.03 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.89 -41.79 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -53.54 -55.67 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.9 mm-40 -60.71 -34.04 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -57.06 -66.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.9 m-85 -53.17 -40.26 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -66.22 -38.0 86.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -63.64 -45.74 88.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -58.73 -51.41 70.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.4 t80 -49.77 -48.74 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.61 17.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.32 -44.53 75.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -35.03 77.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -73.01 -5.4 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.24 23.25 74.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.29 -178.8 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.227 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.24 22.23 11.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.37 151.15 57.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.47 17.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 31' ' ' LEU . 76.2 t -126.78 141.15 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -58.2 154.05 13.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 34' ' ' TYR . 70.6 t -102.2 120.18 54.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 62.33 5.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.552 ' CE1' HG11 ' A' ' 32' ' ' VAL . 95.3 m-85 -50.08 -41.05 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -49.68 -44.66 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' ASP . 84.4 mt -72.09 -66.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.1 mt -40.36 -40.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -49.45 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -77.65 -37.58 49.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -108.96 100.97 42.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -14.84 21.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -107.49 52.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.38 -54.93 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG21 ' CD1' ' A' ' 80' ' ' ILE . 43.2 t -138.3 141.61 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -102.51 125.98 49.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG22 ' CE2' ' A' ' 55' ' ' PHE . 47.6 t -113.4 128.15 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 p -145.46 170.4 16.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.14 -23.7 25.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.3 mt -45.76 163.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 150.93 38.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.17 143.71 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 70.61 32.99 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 26.9 mt -150.75 118.27 3.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CE2' HG22 ' A' ' 46' ' ' VAL . 11.6 t80 -127.66 98.53 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.71 177.39 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.199 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -39.17 131.59 1.22 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -14.85 20.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.56 1.821 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -89.77 69.3 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.45 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -46.36 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ILE . 19.0 m-20 -112.12 167.53 10.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' ASP . 1.1 mp -38.91 -70.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' GLU . 33.1 m170 -37.81 -72.83 0.05 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 3.1 mmt85 -40.35 -58.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 14.9 mt -47.33 -42.15 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.3 mm-40 -72.86 -49.25 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 110.354 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -52.6 -52.11 56.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 11.5 mt -58.46 -49.26 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 8' ' ' LEU . 11.5 mt -61.21 -30.66 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' GLU . 11.7 mttt -71.63 -27.48 63.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.68 9.93 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -44.77 -35.63 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.192 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -44.71 59.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -65.69 -39.42 91.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.9 t -45.92 128.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -147.7 135.76 21.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 56.7 mtt -110.16 144.31 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -137.14 117.12 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 44' ' ' VAL . 19.6 mm -67.33 104.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.3 mm -74.34 -51.78 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.55 144.05 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -86.53 153.51 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p 179.87 96.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.41 115.21 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -55.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -157.02 145.37 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.2 106.2 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m 54.27 88.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 m 62.15 96.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.03 -73.17 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.431 1.082 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -112.45 168.32 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 m -162.28 92.06 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -100.9 -51.17 1.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 70' ' ' LEU . 6.7 mt -39.96 -52.83 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CZ ' ' OD1' ' A' ' 59' ' ' ASN . 24.3 ttp180 -46.39 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.72 -49.96 35.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -45.66 -50.51 13.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 42.5 t -68.45 -38.57 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 2.1 mtpt -52.36 -57.27 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.5 mt-10 -59.41 -34.4 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.235 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 69' ' ' ILE . 5.8 tp -58.27 -71.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.7 m-85 -48.14 -40.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 13' ' ' LYS . 4.1 m-20 -66.85 -42.07 86.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.2 mm-40 -59.54 -47.26 86.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -56.58 -53.89 52.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t80 -46.16 -49.96 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.41 19.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.86 -47.04 83.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.19 77.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 20' ' ' TYR . 15.2 mt -70.3 -8.25 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.62 25.66 62.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.55 -172.08 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 0.724 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.81 21.45 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.68 151.59 60.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.7 14.55 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 31' ' ' LEU . 80.5 t -125.32 144.16 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.0 mt -60.62 154.99 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 60.0 t -101.52 119.63 56.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 61.57 5.74 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 62.8 m-85 -44.59 -46.51 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -44.94 -49.81 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.88 -65.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 mt -43.07 -30.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' NH1' ' HD2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -63.13 -57.88 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.41 -37.7 74.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 t -110.36 99.4 40.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -17.29 19.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.95 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 -54.7 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 HG23 ' CD1' ' A' ' 80' ' ' ILE . 25.0 t -141.06 141.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -99.92 133.0 44.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 29.7 t -119.85 129.7 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 p -146.25 174.76 11.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.66 -29.68 7.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.6 mt -45.0 162.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 144.12 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.01 149.17 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 1.1 t0 70.84 29.87 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 52' ' ' ASP . 27.3 mt -154.77 117.8 2.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 4.2 t80 -127.01 96.4 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.2 mtm180 -141.18 176.95 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.7 t-20 -39.09 133.53 1.13 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.569 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 -8.49 20.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.46 ' OD1' ' CZ ' ' A' ' 9' ' ' ARG . 2.1 t30 -93.49 68.88 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.82 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-85 -48.87 174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.0 m-20 -114.94 168.34 10.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 64' ' ' HIS . 1.2 mp -38.8 -70.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' N ' HG21 ' A' ' 63' ' ' ILE . 22.9 m170 -39.16 -72.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.661 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' CG ' HD11 ' A' ' 53' ' ' ILE . 6.3 mtt85 -42.18 -58.58 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 30.5 mt -46.65 -44.38 18.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.5 -49.8 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -49.42 -51.88 32.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.454 HG12 ' CD2' ' A' ' 49' ' ' LEU . 2.9 mt -54.63 -50.84 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 8' ' ' LEU . 9.0 mt -58.2 -42.62 86.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -65.53 -21.87 66.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' O ' ' CG2' ' A' ' 76' ' ' VAL . . . -111.65 26.71 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -66.07 -34.98 79.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.12 -20.78 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -88.3 -40.57 13.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 55.9 t -48.04 129.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.27 139.81 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.9 mtt -115.12 139.25 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.0 t -131.46 120.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.452 ' CD1' HG23 ' A' ' 44' ' ' VAL . 15.0 mm -70.68 106.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm -73.36 -49.1 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -121.28 104.13 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.24 161.9 19.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.85 141.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.18 -124.99 1.59 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.65 3.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.61 163.1 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.063 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -56.01 123.53 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -134.49 112.75 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 62.79 144.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.46 -82.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.424 1.077 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 m -62.26 169.1 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -57.66 103.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.1 -63.41 1.88 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 70' ' ' LEU . 38.1 mt -41.23 -44.5 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -50.76 -54.07 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -42.24 95.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.86 -44.67 82.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -69.35 -44.55 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -50.16 -49.86 50.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.2 mt-10 -65.18 -35.1 80.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -56.44 -65.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.44 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 16.6 m-85 -52.48 -42.15 64.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.1 -38.8 91.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.2 mm-40 -62.77 -45.61 91.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -59.1 -53.8 54.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 33' ' ' PRO . 1.8 t80 -47.45 -52.23 17.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.91 -54.78 20.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.09 -47.01 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -32.33 72.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 20' ' ' TYR . 14.2 mt -73.91 -6.09 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.19 76.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -98.63 -174.86 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 21.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -143.84 153.99 58.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.757 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 31' ' ' LEU . 69.8 t -129.34 141.81 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' HG13 ' A' ' 30' ' ' VAL . 8.2 mt -60.06 149.72 31.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 69.4 t -100.5 121.28 53.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.05 68.35 5.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 54.1 m-85 -51.87 -46.81 64.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -46.35 -46.01 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.45 -68.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.9 mt -40.19 -35.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -54.83 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -74.34 -31.82 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 t -113.92 95.01 36.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.01 21.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.23 46.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.91 -51.57 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 80' ' ' ILE . 42.8 t -141.56 140.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.03 46.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.58 HG22 ' CE1' ' A' ' 55' ' ' PHE . 54.5 t -120.44 127.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 p -145.49 168.71 19.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 -21.8 41.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -48.79 163.72 0.32 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 147.19 33.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.416 1.745 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -61.98 144.96 54.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 70.47 33.27 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 41.8 mt -152.25 118.64 3.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -163.56 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 46' ' ' VAL . 16.0 t80 -128.0 96.58 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.2 mmt-85 -142.14 179.87 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.273 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.6 t-20 -39.62 131.19 1.41 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.94 -19.12 18.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -87.99 69.73 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.98 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.4 m-85 -46.22 173.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -108.38 167.05 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -39.41 -70.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 89.9 m-70 -38.76 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.523 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -41.9 -58.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 18.2 mt -46.28 -48.44 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.14 -53.51 36.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -46.04 -55.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 2.6 mt -51.7 -44.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 8' ' ' LEU . 43.3 mt -62.48 -38.41 89.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -17.6 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' O ' ' CG2' ' A' ' 76' ' ' VAL . . . -117.64 32.54 6.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 36.1 ptt180 -70.72 -33.58 71.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.4 mm-40 -83.86 -21.57 31.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -85.27 -35.32 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 72' ' ' ALA . 35.5 t -54.51 129.99 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.21 130.2 20.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.167 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 49.8 mtt -106.31 143.45 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 93.6 t -136.57 119.45 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.372 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 44' ' ' VAL . 19.8 mm -70.37 108.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.2 mm -75.38 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -114.53 132.46 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.21 127.56 19.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.06 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.47 166.63 32.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.71 147.16 17.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -175.42 2.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 t -150.24 87.75 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.7 m -78.97 149.81 32.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.04 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.08 103.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.098 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 65.05 119.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.5 -123.11 6.96 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.05 84.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -132.21 87.67 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -74.85 -53.6 6.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER -39.58 -53.1 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 0.72 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.92 -61.14 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -42.74 67.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -57.19 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.9 t -57.99 -39.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -53.33 -56.81 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -59.78 -33.18 71.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.5 tp -59.16 -70.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 11.9 m-85 -49.29 -38.53 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -68.14 -42.05 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.8 mm-40 -59.31 -46.71 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -56.52 -55.31 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.9 t80 -46.02 -52.99 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.77 -58.2 12.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.363 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.72 78.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -71.58 -8.13 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.56 65.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.08 -172.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -124.13 19.78 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 151.63 59.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.0 16.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 31' ' ' LEU . 60.4 t -123.97 141.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' N ' HG13 ' A' ' 30' ' ' VAL . 9.4 mt -61.36 145.63 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 71.2 t -93.55 120.29 66.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -74.98 61.88 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 78.4 m-85 -45.56 -40.52 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -50.56 -53.04 33.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' ASP . 81.6 mt -62.63 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.2 mt -39.05 -44.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -50.36 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.6 t0 -75.19 -31.23 60.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.1 t -119.74 98.32 49.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 110.071 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -15.81 20.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -104.63 50.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.95 -53.44 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.482 HG22 ' CD1' ' A' ' 80' ' ' ILE . 54.2 t -138.85 143.44 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -104.48 132.62 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG22 ' CE2' ' A' ' 55' ' ' PHE . 57.0 t -119.44 123.01 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -143.21 174.11 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -27.08 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 mt -43.26 164.86 0.12 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.489 0.759 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 144.35 29.82 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.96 145.79 44.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 70.44 31.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 65' ' ' ARG . 47.0 mt -152.18 118.31 3.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 46' ' ' VAL . 5.4 t80 -128.71 101.15 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -143.77 177.51 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.9 t30 -39.76 131.01 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.587 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -13.66 21.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -91.17 72.08 6.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 175.41 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.3 m-85 -48.03 170.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.7 m-20 -110.97 166.5 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -40.29 -38.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -61.39 -73.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -44.49 -53.49 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.352 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.25 -51.5 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.42 -55.12 37.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.0 mmtm -52.69 -61.53 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.4 mt -43.99 -60.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.7 mt -46.65 -33.65 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -72.27 -39.59 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -94.11 16.38 14.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' ILE . 38.3 ptt180 -53.84 -37.41 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.04 -40.75 62.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 110.334 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -67.21 -44.49 79.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.6 t -44.29 127.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.0 tpp180 -145.62 135.4 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 55.1 mtt -108.68 144.3 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.64 118.57 22.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.482 ' CD1' HG22 ' A' ' 44' ' ' VAL . 46.6 mm -67.41 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.4 mm -47.14 -62.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.421 ' O ' ' CG2' ' A' ' 80' ' ' ILE . 0.1 OUTLIER -94.01 -152.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.441 ' HB2' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER 75.28 -59.81 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 t 65.9 151.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.82 115.88 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.66 159.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m 61.62 -89.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -143.96 163.24 34.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -103.99 162.85 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.3 -113.14 4.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m 63.01 106.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -70.2 151.93 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.024 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.4 -50.47 2.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 70' ' ' LEU . 37.6 mt -44.96 -45.52 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' SER . 6.1 tpp180 -50.11 -60.21 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -38.6 71.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.18 -58.83 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -53.61 -40.86 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 11.9 mtmt -53.78 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 17.1 mt-10 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 5.9 tp -55.19 -71.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 10.2 m-85 -46.83 -41.88 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -64.46 -44.76 90.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.3 mm-40 -55.39 -45.44 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -57.17 -57.61 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.4 t80 -44.8 -55.02 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.5 -54.31 8.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.0 -48.82 80.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.763 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.19 -33.99 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.499 HD12 ' CD2' ' A' ' 20' ' ' TYR . 16.0 mt -71.4 -7.07 44.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.14 15.32 80.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mt -96.66 -179.15 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -120.92 24.18 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.94 149.58 53.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 31' ' ' LEU . 77.4 t -123.05 146.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' N ' HG12 ' A' ' 30' ' ' VAL . 6.2 mt -60.22 155.65 17.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 80.8 t -108.66 116.16 56.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CD2' ' OD1' ' A' ' 57' ' ' ASN . 77.5 m-85 -56.09 -35.83 67.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.93 68.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.44 -46.79 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.69 -21.45 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' TYR . 13.7 tpt85 -72.36 -53.78 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.43 -26.59 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -116.67 92.11 36.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -11.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.24 49.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.43 -54.18 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 80' ' ' ILE . 55.4 t -138.45 145.68 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -105.41 133.18 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 55' ' ' PHE . 58.2 t -120.32 122.29 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -140.97 175.64 9.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.37 -29.85 6.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.0 mt -44.18 163.4 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.799 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.53 31.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.09 143.63 37.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 70.92 34.17 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 HD13 ' CG ' ' A' ' 65' ' ' ARG . 5.7 mt -152.5 117.76 2.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 46' ' ' VAL . 8.2 t80 -134.29 92.7 2.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -137.93 178.44 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' OD1' ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -50.48 128.75 25.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.456 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 58.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.19 8.59 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -37.07 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.3 m-85 -42.54 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ILE . 17.4 m-20 -112.5 164.92 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.42 -34.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -67.9 -72.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.557 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' CG ' HD13 ' A' ' 53' ' ' ILE . 12.9 mtt85 -47.08 -46.97 23.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.7 mt -52.6 -41.16 63.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.47 -54.34 7.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -45.11 -53.08 8.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -54.64 -40.25 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 8' ' ' LEU . 77.1 mt -69.04 -37.42 78.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -11.38 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.52 21.33 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.3 ptt-85 -60.11 -29.31 68.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -25.04 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.58 -47.63 12.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.5 t -43.45 132.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -146.87 139.03 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.445 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 57.8 mtt -110.21 146.37 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 98.7 t -138.92 116.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.481 ' CD1' HG21 ' A' ' 44' ' ' VAL . 47.5 mm -66.39 103.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mm -75.21 -57.91 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -124.5 120.26 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.09 116.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.315 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.52 144.74 0.22 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.08 100.74 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -67.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.5 90.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 117.47 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.51 154.36 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 85.66 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 0.714 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -92.72 100.75 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.98 -53.75 35.21 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.499 1.124 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 70' ' ' LEU . 18.3 mt -42.66 -51.22 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -41.44 -52.97 3.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -44.64 89.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -54.15 -42.5 69.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 79.1 t -69.93 -38.63 76.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 12.8 mttt -52.47 -60.84 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.09 -36.56 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 3.6 tp -55.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 16.9 m-85 -47.93 -40.89 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -65.46 -42.94 91.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.6 -47.52 84.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -58.94 -50.41 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.559 ' CD2' HD12 ' A' ' 24' ' ' LEU . 2.5 t80 -49.45 -49.59 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.17 -58.44 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -53.6 -50.97 64.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.17 69.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 20' ' ' TYR . 11.2 mt -69.18 -10.8 59.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.34 17.65 70.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.97 -169.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.67 18.47 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.95 151.97 69.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 130.27 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 31' ' ' LEU . 77.7 t -122.23 141.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.4 mt -56.86 158.69 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -113.42 116.85 45.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.17 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.15 -37.75 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -37.3 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.57 -58.33 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 mt -52.48 -21.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -72.99 -66.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.67 -22.23 66.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -120.24 93.61 48.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -18.51 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.412 1.743 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.13 53.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.23 -49.95 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 80' ' ' ILE . 39.8 t -143.61 143.57 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -102.68 133.65 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 55' ' ' PHE . 62.0 t -118.89 126.6 75.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -140.91 172.66 12.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 88.77 -24.8 11.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.3 mt -43.04 164.37 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.498 ' CG ' ' HB3' ' A' ' 68' ' ' LYS . 18.2 Cg_endo -74.98 172.98 15.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -85.59 140.8 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.45 29.6 4.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 66.8 mt -143.23 117.79 6.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.579 ' CD1' HG11 ' A' ' 46' ' ' VAL . 32.0 t80 -130.24 91.53 3.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASN . 5.2 mtt180 -140.55 171.87 13.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.9 OUTLIER -39.06 137.5 0.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.93 1.23 7.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 59' ' ' ASN . 24.7 p30 -97.05 57.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -170.43 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.3 m-85 -44.8 167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.79 167.54 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -36.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 67' ' ' GLU . 26.6 m80 -67.42 -72.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -46.62 -46.62 19.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 15.9 mt -53.93 -23.88 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.2 mm-40 -94.29 -45.4 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 9.8 mptt -47.82 -66.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.48 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 3.4 mt -44.07 -61.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 8' ' ' LEU . 16.1 mt -48.57 -30.63 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -72.95 -37.24 67.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . -98.64 14.98 26.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ILE . 41.4 ptt180 -51.11 -27.71 8.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.91 -45.07 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -67.99 -38.33 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.7 t -44.72 129.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -146.95 136.55 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 53.2 mtt -111.0 143.75 41.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 95.7 t -135.89 119.35 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.452 ' CD1' HG21 ' A' ' 44' ' ' VAL . 21.6 mm -70.58 108.46 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -77.84 -57.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.06 116.38 19.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -76.97 129.0 35.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 80.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.19 117.49 0.67 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.549 1.815 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.9 p -155.66 161.2 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -163.23 95.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -90.8 116.09 28.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 0.82 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -82.81 82.0 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.75 -146.91 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 126.56 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -131.86 106.64 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.01 -52.61 2.54 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 70' ' ' LEU . 21.1 mt -42.07 -46.68 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.81 -54.17 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -40.3 -39.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 44.1 t -71.42 -53.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 4.8 mtpm? -44.05 -44.37 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.5 mt-10 -69.68 -35.03 74.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 12' ' ' VAL . 2.3 tp -58.64 -67.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 17.0 m-85 -48.87 -39.46 25.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 13' ' ' LYS . 6.3 m-20 -68.65 -42.5 77.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.9 mm-40 -59.41 -47.06 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -57.92 -53.02 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.4 t80 -47.71 -50.57 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.47 -55.98 22.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.0 -43.88 86.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.4 84.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.8 mt -70.07 -8.07 46.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.87 15.83 76.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.61 -179.73 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -119.0 20.74 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.39 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.26 151.45 64.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.02 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 31' ' ' LEU . 78.7 t -128.65 140.3 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -55.35 162.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 53.8 t -109.89 120.29 45.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 61.96 5.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 65.0 m-85 -45.44 -48.52 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -44.97 -48.59 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.25 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.2 mt -44.05 -28.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tpm_? -67.15 -66.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.28 -22.32 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -121.92 94.38 48.22 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.31 20.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -107.04 53.72 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.15 -52.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 80' ' ' ILE . 37.9 t -139.6 140.21 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.12 133.4 44.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 55' ' ' PHE . 63.7 t -119.35 127.5 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 p -145.71 170.56 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.42 -22.41 30.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 11.9 mt -43.92 165.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.93 145.04 31.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.9 141.4 57.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 70.39 33.79 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HD3' ' A' ' 65' ' ' ARG . 39.5 mt -150.82 118.21 3.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 46' ' ' VAL . 20.5 t80 -125.16 97.51 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.8 mtt180 -141.5 171.9 13.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.2 t30 -39.02 139.34 0.76 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.92 -11.63 21.65 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -91.69 71.3 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.05 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.2 m-85 -51.55 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ILE . 56.5 m-20 -129.63 172.3 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -40.17 -68.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.461 ' N ' ' CG2' ' A' ' 63' ' ' ILE . 2.4 m-70 -37.88 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 3.2 mmt85 -41.32 -59.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.8 mt -47.91 -37.65 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.3 mm-40 -75.87 -49.29 18.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -55.36 -57.43 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.6 mt -51.88 -44.87 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 8' ' ' LEU . 42.5 mt -65.46 -34.64 78.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' GLU . 12.5 mttt -72.22 -20.8 61.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.99 21.33 15.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -58.93 -37.25 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.09 -25.64 55.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -82.54 -42.71 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.9 t -47.6 127.09 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.7 tpt180 -141.03 137.18 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.1 mtt -112.03 140.59 46.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.0 t -133.04 120.71 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 44' ' ' VAL . 14.4 mm -70.48 103.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -70.93 -59.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.01 161.61 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.83 123.61 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.26 168.36 10.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.78 139.58 15.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -178.14 80.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.32 164.59 34.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.574 1.171 . . . . 0.0 110.984 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -58.99 1.94 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.81 -42.73 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.52 -47.27 73.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG22 ' HG ' ' A' ' 70' ' ' LEU . 94.0 t -65.12 -38.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 21.5 mttt -55.33 -57.41 11.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -59.55 -32.32 70.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 73' ' ' ARG . 4.2 tp -58.85 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.37 -37.81 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.46 HD21 HD23 ' A' ' 31' ' ' LEU . 3.5 m-20 -68.95 -39.6 79.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.8 mm-40 -62.25 -47.06 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -57.05 -52.31 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.551 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 1.9 t80 -47.79 -50.32 26.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.48 -56.62 16.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.22 -40.23 77.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 0.744 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.46 91.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.35 -8.35 49.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.96 82.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.05 -178.78 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.92 22.36 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -141.66 153.15 64.69 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.46 20.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 61.3 t -130.12 140.36 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -55.99 158.34 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.9 t -106.22 119.02 53.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.551 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 61.28 5.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 82.9 m-85 -45.56 -41.06 9.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -48.58 62.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.7 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.616 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.4 mt -42.3 -38.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -56.92 -60.93 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.64 -33.18 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -117.4 89.85 32.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.12 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.81 30.0 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.22 -53.17 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG22 HD13 ' A' ' 80' ' ' ILE . 33.8 t -136.22 140.92 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -100.25 133.68 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.774 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 53.6 t -120.48 127.47 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.9 p -145.97 171.25 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.07 -24.84 22.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -47.11 163.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.776 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -74.97 150.11 37.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.563 1.823 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.1 150.64 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.18 33.97 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.776 HD12 ' HG2' ' A' ' 50' ' ' PRO . 49.1 mt -150.98 118.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.5 Cg_endo -74.98 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.439 1.757 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.774 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.7 t80 -129.19 92.3 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.528 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 1.8 mtm-85 -141.08 175.27 9.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' THR . 2.6 t-20 -39.33 136.31 1.07 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -91.87 67.99 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.78 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.3 m-85 -49.86 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.32 170.58 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -43.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -60.25 -72.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.4 mtm180 -45.44 -51.44 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 24.0 mt -49.11 -42.61 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.6 mm-40 -75.56 -48.59 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.12 -53.82 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mt -53.05 -50.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.541 ' HG ' HG22 ' A' ' 12' ' ' VAL . 13.1 mt -61.5 -32.01 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 67' ' ' GLU . 8.1 mttt -74.56 -7.39 52.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -126.9 21.61 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HB2' HD13 ' A' ' 15' ' ' LEU . 32.7 ptt180 -60.74 -33.62 73.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.216 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.84 -16.83 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.279 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -93.22 -38.13 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 72' ' ' ALA . 38.3 t -52.85 130.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.5 tpp85 -144.16 135.3 25.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.429 ' HG2' HG22 ' A' ' 46' ' ' VAL . 54.4 mtt -110.0 142.8 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 84.9 t -134.69 120.96 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.575 HD13 HG22 ' A' ' 44' ' ' VAL . 14.7 mm -70.3 107.19 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -44.02 -50.89 8.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.46 -35.53 79.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -67.54 -42.42 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.554 HG22 ' HG ' ' A' ' 70' ' ' LEU . 75.4 t -65.81 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 18.8 mtmt -54.68 -56.79 15.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.6 mm-40 -60.01 -33.06 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 73' ' ' ARG . 4.2 tp -57.9 -66.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.418 ' O ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m-85 -52.51 -38.09 58.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.466 HD21 HD23 ' A' ' 31' ' ' LEU . 3.6 m-20 -68.66 -37.29 79.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.1 mm-40 -64.27 -45.38 88.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.454 ' HG3' HG12 ' A' ' 76' ' ' VAL . 50.8 mmtt -59.23 -53.38 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.516 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.0 t80 -47.43 -50.86 21.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.89 -55.36 23.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.75 -40.91 85.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.4 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -71.64 -7.07 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 19.08 75.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -95.94 -173.15 2.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -125.04 22.02 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -143.56 152.43 56.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.13 17.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 66.3 t -126.37 140.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -56.4 156.92 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 45.7 t -105.96 118.99 53.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 62.24 5.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.6 m-85 -46.78 -42.97 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.47 -45.56 36.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -66.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.516 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.9 mt -40.5 -37.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.07 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -36.93 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -111.51 97.8 37.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.942 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.95 46.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.57 -54.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.55 HG22 HD13 ' A' ' 80' ' ' ILE . 39.5 t -139.08 141.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -100.63 133.25 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.911 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 65.2 t -119.13 123.37 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 p -141.43 172.15 13.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.51 -24.91 17.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.138 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -44.69 163.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.768 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 153.63 41.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.73 143.17 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t0 70.14 34.91 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' HG2' ' A' ' 50' ' ' PRO . 49.2 mt -151.88 119.0 3.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.911 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 17.2 t80 -127.9 93.35 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.3 mtt180 -141.34 173.23 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 60' ' ' THR . 1.8 t-20 -39.6 137.33 1.09 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.677 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -7.11 18.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -92.82 68.06 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER 179.16 -36.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.677 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.8 m-85 -47.5 174.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -111.06 162.25 15.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.68 -34.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -68.94 -72.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 69' ' ' ILE . 51.8 mtt180 -44.26 -47.08 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.0 mt -52.7 -45.54 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.71 -53.0 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -46.79 -58.57 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.361 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 65' ' ' ARG . 11.3 mt -48.87 -52.79 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HG ' HG22 ' A' ' 12' ' ' VAL . 12.2 mt -58.97 -29.47 67.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -23.32 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -113.34 26.51 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.9 ptt180 -62.34 -33.83 75.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.25 -32.18 49.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -75.52 -42.75 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.081 . . . . 0.0 109.588 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 72' ' ' ALA . 22.8 t -44.67 131.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 132.15 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.418 ' HE1' ' O ' ' A' ' 16' ' ' PHE . 54.4 mtt -107.24 143.19 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.6 t -135.98 117.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 44' ' ' VAL . 16.4 mm -68.34 100.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 35.4 mm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.873 ' CD2' HD12 ' A' ' 70' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -53.06 -66.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 3.5 mt-10 -48.36 -42.32 31.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -54.13 -53.64 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 58' ' ' PRO . 33.4 t -65.59 -36.0 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' CE ' ' HG2' ' A' ' 10' ' ' GLU . 46.8 mtmt -54.0 -58.17 8.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mt-10 -58.95 -33.24 70.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.2 tp -58.19 -67.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.2 m-85 -51.31 -42.85 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m-20 -63.9 -41.97 97.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.3 mm-40 -59.39 -49.91 76.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -53.47 -53.57 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.3 -51.62 14.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.79 -56.04 17.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.82 -45.93 81.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.4 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.32 -4.98 42.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.98 79.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mt -97.31 -176.15 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 0.704 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -122.32 24.0 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -146.9 154.56 47.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.85 24.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 71.3 t -132.33 142.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.98 146.93 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 76.3 t -95.58 119.38 65.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.6 Cg_endo -75.02 61.4 5.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 87.3 m-85 -46.65 -41.41 14.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.61 -34.64 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 33' ' ' PRO . 86.2 mt -82.22 -64.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.673 HG21 ' HE2' ' A' ' 55' ' ' PHE . 8.0 mt -43.95 -30.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -52.27 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.17 -32.96 56.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -112.42 95.93 33.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.33 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -107.02 48.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.01 -53.89 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG22 HD13 ' A' ' 80' ' ' ILE . 44.6 t -138.77 140.2 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' MET . 4.8 tt0 -100.15 129.1 46.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.924 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 52.1 t -117.28 127.03 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.8 p -145.72 174.26 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.02 -28.29 8.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.639 1.212 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.0 mt -43.07 163.6 0.15 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.719 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 145.4 31.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.53 146.88 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t0 70.54 29.95 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.719 HD12 ' HG2' ' A' ' 50' ' ' PRO . 47.5 mt -150.76 118.33 3.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.447 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.924 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 4.2 t80 -128.11 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.82 179.24 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 60' ' ' THR . 3.3 t-20 -39.69 129.27 1.47 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.6 Cg_endo -74.87 -11.76 21.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.17 68.17 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.95 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -45.62 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -101.1 158.04 16.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -40.5 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.2 m170 -67.15 -72.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.724 ' O ' HD12 ' A' ' 69' ' ' ILE . 4.3 mtt180 -46.48 -45.27 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.1 -41.38 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.44 -47.74 63.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -57.4 -49.3 76.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.5 mt -56.44 -50.31 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.873 HD12 ' CD2' ' A' ' 8' ' ' LEU . 8.9 mt -56.69 -45.65 81.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.84 -27.18 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.912 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -103.01 23.73 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.3 ptt180 -67.83 -38.62 83.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -17.26 58.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -92.64 -38.95 11.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 72' ' ' ALA . 37.4 t -49.95 131.05 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.51 133.0 20.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.436 ' HG2' HG22 ' A' ' 46' ' ' VAL . 57.7 mtt -108.24 143.9 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.0 t -136.73 118.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.501 HD13 HG22 ' A' ' 44' ' ' VAL . 20.3 mm -67.96 101.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 70' ' ' LEU . 60.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -55.01 -52.55 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -24.56 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.05 -34.23 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 58' ' ' PRO . 50.6 t -76.21 -42.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -53.77 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -62.39 -32.2 72.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 73' ' ' ARG . 3.7 tp -60.38 -69.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.9 m-85 -50.88 -36.01 35.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.0 m-20 -70.94 -40.92 71.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -61.4 -47.9 83.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -56.75 -52.4 65.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 2.3 t80 -47.29 -49.84 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.21 -57.97 14.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -56.4 -40.03 73.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.0 89.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.1 mt -70.53 -9.47 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.192 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.39 80.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.41 -174.02 3.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.96 21.26 9.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -140.12 151.39 64.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.05 13.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 72.1 t -125.08 141.18 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.9 mt -57.84 161.43 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.6 t -109.34 120.38 45.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CD2' ' ND2' ' A' ' 57' ' ' ASN . 65.8 m-85 -44.36 -48.77 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -44.84 -46.41 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 33' ' ' PRO . 86.1 mt -67.84 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.548 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.6 mt -41.85 -31.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -57.78 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -28.15 62.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -116.68 96.32 48.15 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.6 53.33 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.56 -53.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.628 HG22 HD13 ' A' ' 80' ' ' ILE . 30.9 t -138.73 139.86 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -100.15 133.73 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.833 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.3 t -119.59 126.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.2 p -143.16 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.6 -24.99 12.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 13.5 mt -44.56 164.26 0.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.67 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.07 149.61 36.66 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.95 143.87 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.29 30.99 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.67 HD12 ' HG2' ' A' ' 50' ' ' PRO . 44.4 mt -149.15 118.44 3.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.833 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 2.9 t80 -129.69 94.25 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.494 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 2.2 mtm180 -140.86 177.33 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -39.7 135.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.679 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 -8.93 20.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -92.02 71.24 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.32 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.679 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.7 m-85 -51.7 172.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.59 168.71 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -39.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -62.95 -72.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.6 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -46.3 -47.26 18.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 66' ' ' LEU . 50.9 mt -55.5 -44.38 76.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.84 -53.16 16.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -49.11 -57.49 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 26.6 mt -53.6 -39.34 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' CD1' HD22 ' A' ' 8' ' ' LEU . 28.9 mt -68.26 -34.59 76.48 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -21.27 63.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.9 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -116.88 25.79 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.1 ptt180 -62.14 -34.12 75.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.26 -26.96 42.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.23 -41.35 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 72' ' ' ALA . 78.0 t -46.76 127.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -139.71 137.95 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.5 mtt -112.93 140.69 47.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 89.7 t -133.04 120.3 40.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 44' ' ' VAL . 15.5 mm -69.84 107.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.5 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.821 HD23 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -48.19 -54.39 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.05 -42.05 76.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' HD11 ' A' ' 70' ' ' LEU . 21.0 mt-30 -53.08 -49.23 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 77.7 t -66.84 -40.97 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -51.56 -55.17 20.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mm-40 -61.0 -35.4 76.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.55 -67.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -51.31 -41.43 60.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m-20 -65.36 -38.78 91.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mm-40 -62.3 -45.46 93.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HG3' HG12 ' A' ' 76' ' ' VAL . 72.2 mmtt -61.76 -54.66 39.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.611 1.195 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 t80 -44.93 -51.87 9.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.98 -58.7 8.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.69 -46.36 74.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.03 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' A' ' 20' ' ' TYR . 15.0 mt -73.51 -8.74 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 24.31 62.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.14 -172.51 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.28 18.25 9.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.76 156.15 69.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.91 14.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 60.5 t -125.06 140.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -58.91 152.58 19.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.8 t -102.43 122.46 46.36 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.97 67.12 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.0 m-85 -52.95 -46.72 68.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -39.6 9.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.063 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.6 mt -76.42 -68.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.635 HG21 ' HE2' ' A' ' 55' ' ' PHE . 4.4 mt -40.06 -40.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -54.77 -51.68 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.22 -32.7 56.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.52 95.62 32.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.049 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.01 19.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -113.73 50.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.99 -53.02 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 80' ' ' ILE . 38.7 t -139.18 139.42 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.6 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.914 HG21 ' CE1' ' A' ' 55' ' ' PHE . 51.5 t -121.55 129.57 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.1 p -144.08 172.69 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.13 -26.39 13.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.9 mt -45.12 163.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.754 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 146.04 32.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.87 146.49 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.26 29.95 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.754 HD12 ' HG2' ' A' ' 50' ' ' PRO . 54.2 mt -150.43 118.73 3.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.477 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.6 Cg_endo -74.98 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.914 ' CE1' HG21 ' A' ' 46' ' ' VAL . 6.5 t80 -126.65 93.6 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.9 mtt180 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.482 ' O ' HG22 ' A' ' 60' ' ' THR . 0.5 OUTLIER -39.02 139.97 0.72 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.684 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -6.57 18.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -93.11 67.85 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.85 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.2 m-85 -49.39 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.67 162.06 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -36.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -73.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' O ' HD12 ' A' ' 69' ' ' ILE . 65.5 mtt85 -43.59 -48.92 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' A' ' 8' ' ' LEU . 19.8 mt -49.99 -48.01 52.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.01 -54.4 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -46.19 -57.05 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 65' ' ' ARG . 6.0 mt -49.21 -56.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.821 HD12 HD23 ' A' ' 8' ' ' LEU . 8.2 mt -54.87 -36.14 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -69.32 -24.93 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -109.68 29.69 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.69 -31.68 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.26 23.9 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -135.43 -45.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' ALA . 27.8 t -40.53 130.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 78' ' ' MET . 9.2 tpt180 -138.25 137.32 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.549 ' HG2' HG22 ' A' ' 46' ' ' VAL . 53.5 mtt -113.65 142.0 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.4 t -135.43 119.48 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 44' ' ' VAL . 17.5 mm -69.29 105.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.0 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.5 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -47.11 -52.3 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.12 -44.64 92.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -60.02 -30.98 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 8' ' ' LEU . 99.6 t -77.04 -37.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -54.56 -58.73 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.35 -32.79 68.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' CD2' HG22 ' A' ' 69' ' ' ILE . 4.7 tp -59.15 -69.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 11.4 m-85 -50.82 -37.5 43.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.425 HD21 HD23 ' A' ' 31' ' ' LEU . 3.8 m-20 -68.89 -40.88 78.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.3 mm-40 -60.59 -47.17 87.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -57.67 -55.57 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.733 ' HE1' HG21 ' A' ' 44' ' ' VAL . 1.9 t80 -45.77 -50.65 13.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.9 -58.59 11.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.13 84.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.58 -8.33 53.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.02 20.76 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -94.7 -174.53 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.74 21.59 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -144.98 154.14 54.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.26 21.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 61.8 t -127.96 140.43 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 17' ' ' ASN . 8.2 mt -58.91 149.85 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.199 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.489 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.9 t -100.17 116.85 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.5 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 89.9 m-85 -45.4 -37.54 5.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -53.55 -44.74 69.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.51 -65.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.544 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.0 mt -40.81 -35.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -54.33 42.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.65 -25.37 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 t -123.57 95.31 45.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.3 21.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.66 50.02 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.87 -51.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.733 HG21 ' HE1' ' A' ' 20' ' ' TYR . 75.5 t -135.66 142.52 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.762 ' HB2' HD11 ' A' ' 81' ' ' ILE . 5.8 tt0 -103.2 126.68 50.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 55' ' ' PHE . 56.2 t -115.2 124.63 71.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 p -144.97 172.76 12.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.75 -25.84 10.72 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.59 1.181 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.19 163.81 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.435 0.727 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.787 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 146.71 32.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.416 1.745 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 142.76 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.23 35.58 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.787 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -152.59 118.72 3.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.768 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -129.3 91.42 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASN . 51.2 mmt-85 -138.92 173.26 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -39.29 136.61 1.05 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -97.95 69.71 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.51 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.47 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.674 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-85 -50.64 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . 37.4 t70 -124.28 170.01 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.72 -66.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.599 ' N ' HG22 ' A' ' 63' ' ' ILE . 48.9 m-70 -39.09 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -44.83 -59.99 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 70' ' ' LEU . 32.1 mt -44.45 -36.96 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.2 mm-40 -78.53 -53.93 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.8 mttm -47.97 -62.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 21.1 mt -46.44 -53.81 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 66' ' ' LEU . 10.1 mt -59.3 -28.33 66.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -74.42 -33.66 63.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -100.11 10.38 41.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -43.19 -39.07 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.6 -46.85 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -61.65 -44.59 96.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 72' ' ' ALA . 70.5 t -45.35 129.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' MET . 7.8 tpt180 -145.5 136.92 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -110.9 144.44 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.49 118.97 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.516 HD13 HG22 ' A' ' 44' ' ' VAL . 47.7 mm -67.45 92.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 45' ' ' GLU . 17.2 mm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 70' ' ' LEU . 29.4 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -45.95 -56.8 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.26 67.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG21 HD22 ' A' ' 66' ' ' LEU . 40.7 t -86.84 -44.01 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -50.96 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -64.47 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 69' ' ' ILE . 1.4 tp -57.82 -65.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.1 m-85 -52.96 -39.52 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.461 HD21 HD23 ' A' ' 31' ' ' LEU . 4.3 m-20 -67.55 -39.21 84.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.6 mm-40 -62.1 -47.22 85.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -55.59 -58.99 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.725 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.9 t80 -44.5 -50.26 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.05 -55.29 15.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.579 1.175 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.32 -40.84 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.47 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.71 -8.0 48.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.65 16.81 76.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.39 -168.16 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.225 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.76 21.83 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -146.95 157.52 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.06 28.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 79.1 t -137.54 140.87 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -56.39 158.34 4.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 64.8 t -109.66 118.92 49.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 66.7 6.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 77.1 m-85 -51.21 -41.72 60.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -45.86 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.06 -64.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.586 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.1 mt -42.09 -32.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -62.3 -56.39 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -127.52 89.31 51.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -7.61 19.37 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.31 31.9 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.23 -50.02 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.227 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.837 HG22 HD13 ' A' ' 80' ' ' ILE . 25.9 t -137.74 140.19 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -98.58 128.7 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.586 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.6 t -115.8 127.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -146.12 171.56 14.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 -27.48 10.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.1 mt -44.34 163.57 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.05 143.79 29.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -59.71 144.75 47.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 4.7 t0 71.21 33.92 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.603 HD12 ' HG2' ' A' ' 50' ' ' PRO . 21.8 mt -155.07 117.26 2.41 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.586 ' HE2' HG21 ' A' ' 37' ' ' ILE . 8.9 t80 -127.54 98.9 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ASN . 54.3 mmt-85 -139.76 177.17 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' O ' ' CG2' ' A' ' 60' ' ' THR . 15.0 t30 -39.92 130.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.95 -13.75 21.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.32 70.33 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.16 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.675 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.7 m-85 -47.53 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.04 -43.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -58.61 -72.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 109.7 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -47.22 -52.96 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 12' ' ' VAL . 17.3 mt -49.92 -45.87 51.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.0 mm-40 -69.45 -53.16 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -48.43 -51.48 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.0 mt -56.82 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD1' HD22 ' A' ' 8' ' ' LEU . 18.2 mt -62.54 -37.43 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -67.59 -12.51 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.749 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -123.78 14.79 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -51.84 -32.06 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.54 -40.79 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.53 -40.74 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 72' ' ' ALA . 76.4 t -46.98 127.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.1 tpt180 -145.43 136.62 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.3 mtt -111.58 141.51 45.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.6 116.83 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 44' ' ' VAL . 8.8 mm -67.55 102.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -38.92 -57.93 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.66 77.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -53.45 -54.53 35.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.653 HG12 ' HB3' ' A' ' 58' ' ' PRO . 79.0 t -53.45 -44.73 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.07 -57.16 11.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.0 mm-40 -59.57 -34.04 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.3 tp -57.16 -68.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.6 m-85 -50.32 -42.68 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.425 HD21 HD23 ' A' ' 31' ' ' LEU . 3.5 m-20 -64.09 -41.88 97.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -59.7 -46.93 87.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HG3' HG12 ' A' ' 76' ' ' VAL . 13.8 mmtt -57.26 -53.73 54.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.0 t80 -47.31 -51.42 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.08 -57.78 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.1 -42.23 76.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -72.3 -9.04 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 15.66 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mt -93.87 -174.17 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.86 22.7 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -143.56 151.87 55.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.26 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.439 1.757 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 71.1 t -126.16 142.22 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 17' ' ' ASN . 8.3 mt -58.95 155.89 12.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 75.8 t -102.79 121.51 49.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.04 59.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 80.3 m-85 -43.63 -42.01 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -49.82 -53.24 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.4 -66.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.711 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.5 mt -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -54.89 -54.44 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.92 -41.04 75.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.4 t -108.98 102.19 47.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.11 14.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -99.74 53.41 0.93 Allowed 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.419 1.074 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.47 -52.87 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 80' ' ' ILE . 38.7 t -138.9 140.87 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.85 133.63 45.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.9 t -119.96 127.69 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 4.7 p -145.22 169.43 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.26 -23.64 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -46.26 163.36 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.4 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.788 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.96 145.75 31.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.89 142.49 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 70.78 35.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.788 HD12 ' HG2' ' A' ' 50' ' ' PRO . 42.7 mt -152.99 118.0 2.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.422 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.05 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.711 ' HE2' HG21 ' A' ' 37' ' ' ILE . 8.1 t80 -127.6 95.41 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.511 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 2.3 mtt180 -140.72 173.02 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.8 t-20 -38.48 135.02 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.667 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 -8.85 20.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.76 67.84 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.81 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.667 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.2 m-85 -48.87 174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -111.49 162.97 14.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -41.29 -36.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -73.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.504 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.743 ' O ' HD12 ' A' ' 69' ' ' ILE . 40.3 mtt85 -44.3 -48.05 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -53.22 -46.19 69.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.1 mm-40 -68.58 -55.25 12.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -44.69 -50.14 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 65' ' ' ARG . 5.2 mt -57.77 -55.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HG ' HG22 ' A' ' 12' ' ' VAL . 18.2 mt -55.77 -32.14 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -71.48 -22.93 61.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -113.5 22.06 14.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.69 -29.91 70.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -18.14 37.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -92.4 -40.01 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 72' ' ' ALA . 22.1 t -46.16 130.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.78 130.21 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.3 mtt -107.3 142.33 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 96.9 t -135.91 120.72 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 44' ' ' VAL . 14.6 mm -71.25 106.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' A' ' 70' ' ' LEU . 17.4 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.72 -64.09 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -50.42 62.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.95 -49.38 40.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.623 HG12 ' HB3' ' A' ' 58' ' ' PRO . 68.3 t -61.27 -45.15 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -50.94 -54.77 21.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.3 mt-10 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' A' ' 73' ' ' ARG . 2.6 tp -57.04 -67.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.6 m-85 -51.94 -38.43 56.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.7 m-20 -68.2 -37.89 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.5 mm-40 -63.84 -46.07 86.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -57.76 -53.66 55.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' HE1' HG21 ' A' ' 44' ' ' VAL . 3.2 t80 -46.84 -50.66 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.25 -55.77 17.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.167 . . . . 0.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.44 -41.8 85.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.82 85.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.57 -6.79 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.34 77.66 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.76 -176.86 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.15 22.44 10.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.509 ' NH1' HG22 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -142.27 153.1 62.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.55 20.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.509 HG22 ' NH1' ' A' ' 28' ' ' ARG . 71.7 t -131.9 141.86 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.11 153.54 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.557 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 77.2 t -102.83 118.98 57.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 64.55 6.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.0 m-85 -51.31 -42.43 61.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -47.91 -43.15 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.98 -65.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.4 mt -40.67 -37.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -52.2 66.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.98 -35.82 62.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.19 98.15 41.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -16.33 20.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -104.37 49.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.42 -52.53 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 ' HE1' ' A' ' 20' ' ' TYR . 48.3 t -138.37 141.27 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 78' ' ' MET . 5.2 tt0 -101.45 128.81 47.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.932 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.1 t -116.98 123.18 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -142.22 172.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.356 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.95 -25.11 14.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.7 mt -44.85 163.67 0.19 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.732 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 148.43 35.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -64.06 144.08 57.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t70 70.61 30.62 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.732 HD12 ' HG2' ' A' ' 50' ' ' PRO . 42.1 mt -148.63 119.45 4.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.932 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.0 t80 -130.38 97.15 4.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 3.5 mtt180 -141.43 175.3 9.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.3 t-20 -39.62 135.35 1.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 -8.88 20.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' HB ' ' A' ' 60' ' ' THR . 11.8 t-20 -93.42 72.84 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER 174.27 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.0 m-85 -50.74 -175.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.62 -179.39 4.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.77 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -63.58 -73.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.573 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.891 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -43.26 -50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 15.6 mt -54.13 -56.38 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.15 -59.73 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.9 mmtm -41.19 -63.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.891 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.1 mt -45.16 -51.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.484 ' CD1' HD22 ' A' ' 8' ' ' LEU . 15.2 mt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.5 mttt -70.23 -16.69 63.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -119.2 16.8 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.454 ' HB2' HD13 ' A' ' 15' ' ' LEU . 39.6 ptt180 -54.94 -34.34 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -28.52 46.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.222 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -80.92 -40.59 24.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 72' ' ' ALA . 37.8 t -49.72 130.78 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -146.02 135.63 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -109.2 144.4 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.1 t -138.7 117.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.499 HD13 HG22 ' A' ' 44' ' ' VAL . 25.1 mm -66.93 106.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.6 mm . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.67 -57.36 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.07 87.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -48.75 -48.83 40.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 58' ' ' PRO . 75.2 t -61.65 -44.9 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 19.2 mtmt -49.92 -51.52 40.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' GLU . 14.9 mt-10 -63.91 -35.95 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.8 tp -56.15 -68.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.205 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.3 m-85 -49.35 -34.34 15.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.2 m-20 -72.63 -35.25 67.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.0 mm-40 -66.73 -42.16 86.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG3' HG12 ' A' ' 76' ' ' VAL . 47.8 mmtt -62.35 -55.49 27.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.537 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.0 t80 -45.9 -52.7 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.42 -57.66 10.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.54 -46.96 73.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.96 76.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.26 -6.85 45.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.31 23.98 69.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -101.73 -175.61 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.7 20.46 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -144.51 155.71 56.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 137.88 22.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 52.1 t -129.93 140.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.38 149.85 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.2 t -97.13 125.59 45.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.06 58.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 75.0 m-85 -43.11 -44.17 4.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.59 -46.36 39.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.7 mt -70.85 -67.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.625 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.9 mt -39.4 -40.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -51.45 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -73.03 -43.38 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -109.2 100.6 41.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -12.84 21.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -105.52 43.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.64 -50.95 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.52 HG22 HD13 ' A' ' 80' ' ' ILE . 40.9 t -137.98 142.47 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 18.6 tt0 -100.48 126.34 46.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.934 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 50.5 t -115.73 126.69 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.7 p -144.89 172.99 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -26.18 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -44.93 163.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.775 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 155.76 43.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.4 143.9 53.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 32.65 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.775 HD12 ' HG2' ' A' ' 50' ' ' PRO . 54.1 mt -150.42 118.96 3.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.92 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.934 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 2.8 t80 -127.97 93.64 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASN . 6.5 mtt180 -141.81 175.28 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' A' ' 60' ' ' THR . 4.6 t30 -39.48 138.38 0.96 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.95 -11.24 21.56 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -90.74 70.58 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.66 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.1 m-85 -50.97 177.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.44 162.94 15.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.49 -41.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -73.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.708 ' O ' HD12 ' A' ' 69' ' ' ILE . 51.5 mtt85 -43.11 -50.46 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.5 mt -49.68 -49.74 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.56 -51.81 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -45.44 -58.79 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mt -49.22 -57.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HG ' HG22 ' A' ' 12' ' ' VAL . 15.6 mt -53.26 -29.65 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -73.54 -31.54 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -105.07 20.51 18.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -54.32 -34.5 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -75.42 -42.88 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -66.0 -43.92 86.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 72' ' ' ALA . 25.4 t -43.31 130.41 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 78' ' ' MET . 4.7 tpp180 -147.58 135.61 21.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.412 ' HG2' HG22 ' A' ' 46' ' ' VAL . 56.7 mtt -111.35 143.3 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 87.2 t -136.73 119.09 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.52 HD13 HG22 ' A' ' 44' ' ' VAL . 42.2 mm -67.65 106.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -53.47 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -35.47 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.68 -56.01 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 58' ' ' PRO . 75.8 t -52.44 -42.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -51.43 -57.23 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.32 -37.04 76.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 69' ' ' ILE . 5.4 tp -54.71 -71.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.4 m-85 -47.19 -34.97 6.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -70.36 -40.48 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -60.71 -47.14 87.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 76' ' ' VAL . 10.0 mmtt -58.0 -57.98 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.5 t80 -43.09 -54.22 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.87 -59.77 7.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.24 -44.45 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.76 84.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.28 -9.83 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.73 19.92 67.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.84 -176.73 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.97 19.4 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.75 152.2 67.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.0 t -126.54 140.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.19 146.97 41.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 57.9 t -93.15 122.2 63.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 56.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 86.4 m-85 -42.0 -42.04 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -41.39 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 87.3 mt -76.85 -66.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.638 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.3 mt -40.11 -36.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -54.55 43.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.7 -39.42 73.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.0 t -109.12 100.81 42.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.09 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.12 49.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.46 -53.81 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.504 HG21 ' HE1' ' A' ' 20' ' ' TYR . 49.1 t -138.9 140.45 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' MET . 10.3 tt0 -98.53 127.52 44.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.962 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 55.3 t -117.07 125.38 73.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -145.11 173.19 12.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.46 -26.98 11.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.2 mt -44.67 161.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.568 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.35 147.33 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 0.7 OUTLIER 70.85 33.37 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.249 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 50' ' ' PRO . 16.9 mt -156.47 118.91 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.07 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.962 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 3.2 t80 -128.32 95.01 4.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 7.1 mtt-85 -141.53 175.24 9.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -39.74 137.3 1.13 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.96 -12.53 21.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -88.88 68.39 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.45 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.7 m-85 -49.3 177.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' ILE . 21.4 m-20 -113.55 159.28 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.96 -36.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.62 -72.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 69' ' ' ILE . 16.1 mtt85 -45.62 -45.15 13.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -53.39 -41.77 66.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.078 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.25 -52.96 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -45.15 -51.75 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mt -55.26 -54.36 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.234 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 12' ' ' VAL . 17.3 mt -57.21 -31.49 65.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.18 -24.53 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 109.375 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -110.97 27.37 9.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.74 -31.73 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.18 -33.83 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -75.11 -41.84 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 72' ' ' ALA . 33.2 t -47.81 130.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.6 tpt180 -146.53 136.71 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 56.2 mtt -112.32 143.86 42.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.68 118.41 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 44' ' ' VAL . 26.2 mm -67.25 105.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mm . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 70' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -43.12 -61.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.89 -42.27 79.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -54.41 -47.38 72.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.2 t -64.87 -37.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.234 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 16.4 mtmt -56.27 -59.72 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 3.1 mm-40 -57.21 -32.54 66.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 HD13 ' HB2' ' A' ' 73' ' ' ARG . 3.7 tp -58.6 -65.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -52.66 -41.75 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 HD21 HD23 ' A' ' 31' ' ' LEU . 2.3 m-20 -65.52 -43.35 90.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.5 mm-40 -57.52 -45.16 85.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.232 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -59.16 -58.44 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.577 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.1 t80 -43.13 -52.05 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.93 -56.32 14.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.16 -46.65 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.45 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.37 -6.82 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.61 70.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mt -103.18 -175.84 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -122.72 22.87 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -141.54 150.17 56.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.49 11.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 72.6 t -122.65 141.41 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -57.26 159.73 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.554 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 44.9 t -106.34 118.63 54.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.02 59.31 5.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 85.1 m-85 -42.95 -45.99 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -47.23 -43.06 21.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.72 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.8 mt -45.3 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -69.01 -56.96 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.63 -23.79 60.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -123.53 93.47 47.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.69 21.33 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.59 46.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.71 -53.81 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.577 HG21 ' HE1' ' A' ' 20' ' ' TYR . 61.0 t -136.28 143.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' MET . 10.6 tt0 -103.3 128.57 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 53.4 t -115.86 124.86 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -145.6 173.25 12.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.27 -27.71 9.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.4 mt -43.28 164.55 0.13 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.0 147.04 33.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.68 148.83 41.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 65.92 30.95 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -149.83 116.93 3.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.3 t80 -126.76 95.23 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 3.4 mtm180 -140.32 168.07 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' CG2' ' A' ' 60' ' ' THR . 7.5 p-10 -39.98 138.98 1.03 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.514 1.797 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -97.22 52.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -165.69 -40.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.674 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.4 m-85 -45.01 171.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -109.7 176.77 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.396 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -35.5 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -69.34 -72.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.766 ' O ' HD12 ' A' ' 69' ' ' ILE . 10.3 mtm180 -43.66 -47.34 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 66' ' ' LEU . 16.5 mt -52.75 -43.19 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.57 -47.14 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -49.91 -58.81 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.9 mt -48.03 -49.44 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 8' ' ' LEU . 20.2 mt -60.03 -35.21 74.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -22.39 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -111.5 18.35 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HB2' HD13 ' A' ' 15' ' ' LEU . 37.5 ptt180 -59.6 -31.71 69.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.23 -19.79 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -90.98 -41.19 11.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 72' ' ' ALA . 40.7 t -49.23 130.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -146.68 138.03 24.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 58.1 mtt -109.71 144.58 37.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.46 120.47 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.539 ' CD1' HG22 ' A' ' 44' ' ' VAL . 33.4 mm -67.95 106.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' ARG . 10.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.5 tpp180 -38.7 -63.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.81 -51.09 54.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -48.8 -47.06 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' A' ' 58' ' ' PRO . 38.5 t -63.42 -43.09 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.21 -57.9 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.5 mm-40 -59.19 -33.97 71.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.6 tp -58.05 -67.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.2 m-85 -51.74 -40.26 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.7 m-20 -66.62 -40.29 88.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 109.376 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -61.85 -47.28 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HG3' HG12 ' A' ' 76' ' ' VAL . 8.8 mmtm -56.02 -55.39 33.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.15 -50.54 15.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.94 -56.9 16.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.02 -40.25 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.1 79.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.8 mt -72.48 -5.89 39.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.22 17.79 79.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -95.08 -172.98 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.92 23.82 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -143.43 151.55 54.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.756 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 74.6 t -122.6 141.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -57.59 156.82 7.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.559 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 56.1 t -105.6 118.78 54.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 71.76 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 39.2 m-85 -55.72 -41.45 73.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -46.5 61.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.192 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 38' ' ' ARG . 85.7 mt -70.16 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.525 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.8 mt -43.48 -28.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 10.9 tpp180 -67.77 -58.18 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.64 -28.65 66.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 t -119.48 95.29 49.17 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 110.073 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -12.47 21.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.79 47.25 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.16 -53.99 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.567 HG22 HD13 ' A' ' 80' ' ' ILE . 39.0 t -138.23 141.39 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -101.84 133.83 45.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.938 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 61.7 t -118.77 122.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 p -139.15 172.54 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 89.5 -25.44 10.99 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.456 1.098 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.9 mt -42.57 163.74 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 0.726 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.735 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 152.79 41.09 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -67.64 142.19 56.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.84 31.84 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.754 HD13 ' HG3' ' A' ' 65' ' ' ARG . 42.1 mt -148.41 118.54 4.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.938 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -130.93 97.26 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -139.5 176.23 8.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.8 OUTLIER -39.63 130.2 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.07 -3.97 14.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.559 1.821 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 20.3 p30 -96.83 63.13 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -176.24 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.6 m-85 -44.95 171.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -115.89 167.72 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -41.03 -33.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -67.28 -73.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.636 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.754 ' HG3' HD13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -44.7 -46.79 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 12' ' ' VAL . 94.9 mt -59.95 -49.35 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.3 mm-40 -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' LYS . 8.3 mttt -49.02 -61.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 65' ' ' ARG . 20.9 mt -47.11 -47.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.14 -32.32 72.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.2 mtpt -71.55 -23.05 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -114.45 21.51 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -56.77 -34.88 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -32.55 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.078 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -75.69 -41.9 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.542 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 72' ' ' ALA . 30.8 t -46.17 131.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 78' ' ' MET . 3.7 tpp85 -147.57 135.52 21.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.421 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 55.0 mtt -108.89 143.34 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.37 120.25 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 44' ' ' VAL . 15.7 mm -69.87 107.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 70' ' ' LEU . 25.7 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -40.08 -65.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -44.77 64.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.79 -41.03 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.667 HG21 HD22 ' A' ' 66' ' ' LEU . 60.4 t -68.89 -41.79 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -53.54 -55.67 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.9 mm-40 -60.71 -34.04 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -57.06 -66.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.9 m-85 -53.17 -40.26 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -66.22 -38.0 86.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -63.64 -45.74 88.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 76' ' ' VAL . 29.5 mmtt -58.73 -51.41 70.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.4 t80 -49.77 -48.74 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.61 17.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.32 -44.53 75.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -35.03 77.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -73.01 -5.4 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.24 23.25 74.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.29 -178.8 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.227 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.24 22.23 11.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.37 151.15 57.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.47 17.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 76.2 t -126.78 141.15 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -58.2 154.05 13.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 70.6 t -102.2 120.18 54.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 62.33 5.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.3 m-85 -50.08 -41.05 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -49.68 -44.66 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' ASP . 84.4 mt -72.09 -66.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.678 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.1 mt -40.36 -40.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -49.45 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -77.65 -37.58 49.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -108.96 100.97 42.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -14.84 21.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -107.49 52.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.38 -54.93 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.546 HG21 ' HE1' ' A' ' 20' ' ' TYR . 43.2 t -138.3 141.61 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' MET . 11.3 tt0 -102.51 125.98 49.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.883 HG21 ' CE1' ' A' ' 55' ' ' PHE . 47.6 t -113.4 128.15 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.0 p -145.46 170.4 16.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.14 -23.7 25.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.3 mt -45.76 163.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.822 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 150.93 38.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.17 143.71 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 70.61 32.99 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.822 HD12 ' HG2' ' A' ' 50' ' ' PRO . 26.9 mt -150.75 118.27 3.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.04 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.883 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.6 t80 -127.66 98.53 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.71 177.39 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.199 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -39.17 131.59 1.22 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -14.85 20.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.56 1.821 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -89.77 69.3 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.45 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -46.36 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ILE . 19.0 m-20 -112.12 167.53 10.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -38.91 -70.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.623 ' N ' HG22 ' A' ' 63' ' ' ILE . 33.1 m170 -37.81 -72.83 0.05 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 3.1 mmt85 -40.35 -58.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.667 HD22 HG21 ' A' ' 12' ' ' VAL . 14.9 mt -47.33 -42.15 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.3 mm-40 -72.86 -49.25 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 110.354 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -52.6 -52.11 56.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 11.5 mt -58.46 -49.26 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD1' HD22 ' A' ' 8' ' ' LEU . 11.5 mt -61.21 -30.66 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' GLU . 11.7 mttt -71.63 -27.48 63.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -107.68 9.93 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -44.77 -35.63 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.192 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -44.71 59.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -65.69 -39.42 91.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG12 ' HG3' ' A' ' 19' ' ' LYS . 43.9 t -45.92 128.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -147.7 135.76 21.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 56.7 mtt -110.16 144.31 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -137.14 117.12 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.533 HD13 HG22 ' A' ' 44' ' ' VAL . 19.6 mm -67.33 104.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.795 ' CD2' HD12 ' A' ' 70' ' ' LEU . 6.7 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CZ ' ' OD1' ' A' ' 59' ' ' ASN . 24.3 ttp180 -46.39 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.72 -49.96 35.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.488 ' HB2' HD11 ' A' ' 70' ' ' LEU . 16.5 mt-30 -45.66 -50.51 13.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 58' ' ' PRO . 42.5 t -68.45 -38.57 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 2.1 mtpt -52.36 -57.27 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.5 mt-10 -59.41 -34.4 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.235 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 5.8 tp -58.27 -71.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.7 m-85 -48.14 -40.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m-20 -66.85 -42.07 86.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.2 mm-40 -59.54 -47.26 86.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HG3' HG12 ' A' ' 76' ' ' VAL . 24.1 mmtt -56.58 -53.89 52.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t80 -46.16 -49.96 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.41 19.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.86 -47.04 83.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.19 77.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.3 -8.25 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.62 25.66 62.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.55 -172.08 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 0.724 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.81 21.45 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.68 151.59 60.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.7 14.55 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 80.5 t -125.32 144.16 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.0 mt -60.62 154.99 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 60.0 t -101.52 119.63 56.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 61.57 5.74 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 62.8 m-85 -44.59 -46.51 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -44.94 -49.81 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.88 -65.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.709 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.0 mt -43.07 -30.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' NH1' ' HD2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -63.13 -57.88 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.41 -37.7 74.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 t -110.36 99.4 40.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -17.29 19.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.95 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 -54.7 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 80' ' ' ILE . 25.0 t -141.06 141.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -99.92 133.0 44.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.826 HG21 ' CE1' ' A' ' 55' ' ' PHE . 29.7 t -119.85 129.7 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.4 p -146.25 174.76 11.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.66 -29.68 7.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.6 mt -45.0 162.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 144.12 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.01 149.17 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 1.1 t0 70.84 29.87 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' HG2' ' A' ' 50' ' ' PRO . 27.3 mt -154.77 117.8 2.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.826 ' CE1' HG21 ' A' ' 46' ' ' VAL . 4.2 t80 -127.01 96.4 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.2 mtm180 -141.18 176.95 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' HG22 ' A' ' 60' ' ' THR . 3.7 t-20 -39.09 133.53 1.13 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.663 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 -8.49 20.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.46 ' OD1' ' CZ ' ' A' ' 9' ' ' ARG . 2.1 t30 -93.49 68.88 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.5 OUTLIER 178.82 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-85 -48.87 174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.0 m-20 -114.94 168.34 10.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.2 mp -38.8 -70.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.622 ' N ' HG22 ' A' ' 63' ' ' ILE . 22.9 m170 -39.16 -72.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.661 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.598 ' O ' HD12 ' A' ' 69' ' ' ILE . 6.3 mtt85 -42.18 -58.58 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 66' ' ' LEU . 30.5 mt -46.65 -44.38 18.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.5 -49.8 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -49.42 -51.88 32.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.9 mt -54.63 -50.84 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.795 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.0 mt -58.2 -42.62 86.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -65.53 -21.87 66.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.973 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -111.65 26.71 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -66.07 -34.98 79.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.12 -20.78 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -88.3 -40.57 13.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 72' ' ' ALA . 55.9 t -48.04 129.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.27 139.81 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.52 ' HG2' HG22 ' A' ' 46' ' ' VAL . 55.9 mtt -115.12 139.25 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.0 t -131.46 120.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 44' ' ' VAL . 15.0 mm -70.68 106.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.72 HD22 HD12 ' A' ' 70' ' ' LEU . 38.1 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -50.76 -54.07 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -42.24 95.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.86 -44.67 82.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 58' ' ' PRO . 52.1 t -69.35 -44.55 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -50.16 -49.86 50.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.2 mt-10 -65.18 -35.1 80.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -56.44 -65.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 16.6 m-85 -52.48 -42.15 64.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.41 HD21 HD23 ' A' ' 31' ' ' LEU . 4.7 m-20 -65.1 -38.8 91.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.2 mm-40 -62.77 -45.61 91.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -59.1 -53.8 54.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.553 ' CG ' HG22 ' A' ' 32' ' ' VAL . 1.8 t80 -47.45 -52.23 17.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.91 -54.78 20.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.09 -47.01 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -32.33 72.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 mt -73.91 -6.09 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.19 76.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -98.63 -174.86 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 21.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -143.84 153.99 58.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.757 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 69.8 t -129.34 141.81 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD23 HD21 ' A' ' 17' ' ' ASN . 8.2 mt -60.06 149.72 31.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 69.4 t -100.5 121.28 53.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.05 68.35 5.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 54.1 m-85 -51.87 -46.81 64.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -46.35 -46.01 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.45 -68.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.627 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.9 mt -40.19 -35.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -54.83 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -74.34 -31.82 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 t -113.92 95.01 36.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.01 21.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.23 46.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.91 -51.57 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG22 HD13 ' A' ' 80' ' ' ILE . 42.8 t -141.56 140.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.03 46.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.962 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.5 t -120.44 127.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.4 p -145.49 168.71 19.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 -21.8 41.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.0 mt -48.79 163.72 0.32 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.827 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 147.19 33.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.416 1.745 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -61.98 144.96 54.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 70.47 33.27 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.827 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.8 mt -152.25 118.64 3.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -163.56 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.962 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.0 t80 -128.0 96.58 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 54.2 mmt-85 -142.14 179.87 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.6 t-20 -39.62 131.19 1.41 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.683 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.94 -19.12 18.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -87.99 69.73 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.98 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.683 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.4 m-85 -46.22 173.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -108.38 167.05 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.648 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -39.41 -70.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.648 ' N ' HG22 ' A' ' 63' ' ' ILE . 89.9 m-70 -38.76 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.523 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.58 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.5 mtt85 -41.9 -58.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 18.2 mt -46.28 -48.44 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.14 -53.51 36.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -46.04 -55.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.6 mt -51.7 -44.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.72 HD12 HD22 ' A' ' 8' ' ' LEU . 43.3 mt -62.48 -38.41 89.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -17.6 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.91 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -117.64 32.54 6.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 36.1 ptt180 -70.72 -33.58 71.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.4 mm-40 -83.86 -21.57 31.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -85.27 -35.32 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 72' ' ' ALA . 35.5 t -54.51 129.99 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.21 130.2 20.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.167 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 49.8 mtt -106.31 143.45 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 93.6 t -136.57 119.45 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.372 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 44' ' ' VAL . 19.8 mm -70.37 108.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.2 mm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.872 HD23 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.92 -61.14 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -42.74 67.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -57.19 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 58' ' ' PRO . 32.9 t -57.99 -39.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -53.33 -56.81 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -59.78 -33.18 71.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.5 tp -59.16 -70.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' O ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m-85 -49.29 -38.53 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -68.14 -42.05 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.8 mm-40 -59.31 -46.71 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -56.52 -55.31 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.9 t80 -46.02 -52.99 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.77 -58.2 12.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.363 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.72 78.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -71.58 -8.13 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.56 65.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.08 -172.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -124.13 19.78 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 151.63 59.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.0 16.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.97 141.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.36 145.63 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 71.2 t -93.55 120.29 66.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -74.98 61.88 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 78.4 m-85 -45.56 -40.52 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -50.56 -53.04 33.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' ASP . 81.6 mt -62.63 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.2 mt -39.05 -44.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -50.36 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.6 t0 -75.19 -31.23 60.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.1 t -119.74 98.32 49.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 110.071 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -15.81 20.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -104.63 50.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.95 -53.44 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.502 HG22 HD13 ' A' ' 80' ' ' ILE . 54.2 t -138.85 143.44 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -104.48 132.62 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.957 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 57.0 t -119.44 123.01 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -143.21 174.11 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -27.08 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 54' ' ' PRO . 13.2 mt -43.26 164.86 0.12 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.489 0.759 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.692 ' HG2' HD12 ' A' ' 53' ' ' ILE . 17.9 Cg_endo -75.1 144.35 29.82 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.96 145.79 44.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 70.44 31.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.852 HD13 ' HG3' ' A' ' 65' ' ' ARG . 47.0 mt -152.18 118.31 3.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.421 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.957 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 5.4 t80 -128.71 101.15 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -143.77 177.51 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.1 t-20 -39.76 131.01 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.685 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -13.66 21.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.426 ' O ' ' HB ' ' A' ' 60' ' ' THR . 4.2 t-20 -91.17 72.08 6.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER 175.41 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.685 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.3 m-85 -48.03 170.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.7 m-20 -110.97 166.5 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -40.29 -38.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -61.39 -73.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.852 ' HG3' HD13 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -44.49 -53.49 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.352 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.549 ' HB3' HD22 ' A' ' 8' ' ' LEU . 43.0 mt -53.25 -51.5 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.42 -55.12 37.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.0 mmtm -52.69 -61.53 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mt -43.99 -60.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.872 HD12 HD23 ' A' ' 8' ' ' LEU . 5.7 mt -46.65 -33.65 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -72.27 -39.59 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -94.11 16.38 14.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' ILE . 38.3 ptt180 -53.84 -37.41 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.04 -40.75 62.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 110.334 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -67.21 -44.49 79.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 72' ' ' ALA . 72.6 t -44.29 127.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.0 tpp180 -145.62 135.4 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 16' ' ' PHE . 55.1 mtt -108.68 144.3 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.64 118.57 22.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.502 HD13 HG22 ' A' ' 44' ' ' VAL . 46.6 mm -67.41 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD11 ' HB2' ' A' ' 45' ' ' GLU . 14.4 mm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.694 HD22 HD12 ' A' ' 70' ' ' LEU . 37.6 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.572 ' HD3' HD11 ' A' ' 66' ' ' LEU . 6.1 tpp180 -50.11 -60.21 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -38.6 71.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.18 -58.83 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -53.61 -40.86 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 11.9 mtmt -53.78 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 17.1 mt-10 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 73' ' ' ARG . 5.9 tp -55.19 -71.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' O ' ' HE3' ' A' ' 78' ' ' MET . 10.2 m-85 -46.83 -41.88 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.54 HD21 HD23 ' A' ' 31' ' ' LEU . 3.3 m-20 -64.46 -44.76 90.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.3 mm-40 -55.39 -45.44 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -57.17 -57.61 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.703 ' HE1' HG21 ' A' ' 44' ' ' VAL . 1.4 t80 -44.8 -55.02 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.5 -54.31 8.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.0 -48.82 80.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.763 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.19 -33.99 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.4 -7.07 44.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.14 15.32 80.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mt -96.66 -179.15 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -120.92 24.18 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.94 149.58 53.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.05 146.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.54 HD23 HD21 ' A' ' 17' ' ' ASN . 6.2 mt -60.22 155.65 17.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 80.8 t -108.66 116.16 56.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.485 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CD2' ' OD1' ' A' ' 57' ' ' ASN . 77.5 m-85 -56.09 -35.83 67.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.93 68.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.44 -46.79 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.6 mt -62.69 -21.45 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' TYR . 13.7 tpt85 -72.36 -53.78 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.43 -26.59 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -116.67 92.11 36.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -11.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.24 49.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.43 -54.18 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.703 HG21 ' HE1' ' A' ' 20' ' ' TYR . 55.4 t -138.45 145.68 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -105.41 133.18 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.973 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 58.2 t -120.32 122.29 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -140.97 175.64 9.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.37 -29.85 6.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.0 mt -44.18 163.4 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.799 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.95 165.53 31.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.09 143.63 37.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 70.92 34.17 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.545 HD12 ' HG2' ' A' ' 50' ' ' PRO . 5.7 mt -152.5 117.76 2.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.973 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.2 t80 -134.29 92.7 2.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -137.93 178.44 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' OD1' ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -50.48 128.75 25.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.545 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 58.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.19 8.59 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -37.07 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.3 m-85 -42.54 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ILE . 17.4 m-20 -112.5 164.92 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.42 -34.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -67.9 -72.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.557 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 69' ' ' ILE . 12.9 mtt85 -47.08 -46.97 23.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.572 HD11 ' HD3' ' A' ' 9' ' ' ARG . 14.7 mt -52.6 -41.16 63.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.47 -54.34 7.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -45.11 -53.08 8.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 65' ' ' ARG . 7.4 mt -54.64 -40.25 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 8' ' ' LEU . 77.1 mt -69.04 -37.42 78.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -11.38 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -124.52 21.33 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' HD13 ' A' ' 15' ' ' LEU . 26.3 ptt-85 -60.11 -29.31 68.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -25.04 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.58 -47.63 12.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 72' ' ' ALA . 62.5 t -43.45 132.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -146.87 139.03 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.501 ' HE1' HG21 ' A' ' 32' ' ' VAL . 57.8 mtt -110.21 146.37 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 98.7 t -138.92 116.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 44' ' ' VAL . 47.5 mm -66.39 103.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mm . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -41.44 -52.97 3.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -44.64 89.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HB2' HD11 ' A' ' 70' ' ' LEU . 11.4 mt-30 -54.15 -42.5 69.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 79.1 t -69.93 -38.63 76.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 12.8 mttt -52.47 -60.84 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.09 -36.56 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.6 tp -55.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 16.9 m-85 -47.93 -40.89 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.479 HD21 HD23 ' A' ' 31' ' ' LEU . 3.1 m-20 -65.46 -42.94 91.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.6 -47.52 84.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -58.94 -50.41 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CG ' HG22 ' A' ' 32' ' ' VAL . 2.5 t80 -49.45 -49.59 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.17 -58.44 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -53.6 -50.97 64.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.17 69.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 20' ' ' TYR . 11.2 mt -69.18 -10.8 59.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.34 17.65 70.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.97 -169.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.67 18.47 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.95 151.97 69.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 130.27 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 77.7 t -122.23 141.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.4 mt -56.86 158.69 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.621 HG22 ' CG ' ' A' ' 20' ' ' TYR . 75.4 t -113.42 116.85 45.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.17 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.15 -37.75 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -37.3 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.57 -58.33 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.586 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.1 mt -52.48 -21.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -72.99 -66.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.67 -22.23 66.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -120.24 93.61 48.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -18.51 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.412 1.743 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.13 53.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.23 -49.95 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 80' ' ' ILE . 39.8 t -143.61 143.57 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -102.68 133.65 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.872 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 62.0 t -118.89 126.6 75.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.8 p -140.91 172.66 12.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 88.77 -24.8 11.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.3 mt -43.04 164.37 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.622 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.98 172.98 15.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -85.59 140.8 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.45 29.6 4.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' HG2' ' A' ' 50' ' ' PRO . 66.8 mt -143.23 117.79 6.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.872 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 32.0 t80 -130.24 91.53 3.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASN . 5.2 mtt180 -140.55 171.87 13.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.55 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -39.06 137.5 0.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.663 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.93 1.23 7.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.583 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.4 OUTLIER -97.05 57.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -170.43 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.3 m-85 -44.8 167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.79 167.54 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -36.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 67' ' ' GLU . 26.6 m80 -67.42 -72.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 69' ' ' ILE . 24.5 mtm180 -46.62 -46.62 19.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 70' ' ' LEU . 15.9 mt -53.93 -23.88 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.2 mm-40 -94.29 -45.4 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 9.8 mptt -47.82 -66.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.515 HG22 ' CD2' ' A' ' 15' ' ' LEU . 3.4 mt -44.07 -61.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 66' ' ' LEU . 16.1 mt -48.57 -30.63 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -72.95 -37.24 67.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -98.64 14.98 26.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ILE . 41.4 ptt180 -51.11 -27.71 8.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.91 -45.07 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -67.99 -38.33 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 72' ' ' ALA . 24.7 t -44.72 129.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -146.95 136.55 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 53.2 mtt -111.0 143.75 41.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 95.7 t -135.89 119.35 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 44' ' ' VAL . 21.6 mm -70.58 108.46 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.409 HD22 HD12 ' A' ' 70' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.81 -54.17 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -40.3 -39.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 58' ' ' PRO . 44.1 t -71.42 -53.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 4.8 mtpm? -44.05 -44.37 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.5 mt-10 -69.68 -35.03 74.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 73' ' ' ARG . 2.3 tp -58.64 -67.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 17.0 m-85 -48.87 -39.46 25.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 6.3 m-20 -68.65 -42.5 77.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.9 mm-40 -59.41 -47.06 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -57.92 -53.02 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.4 t80 -47.71 -50.57 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.47 -55.98 22.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.0 -43.88 86.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.4 84.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.8 mt -70.07 -8.07 46.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.87 15.83 76.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.61 -179.73 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -119.0 20.74 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.39 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.26 151.45 64.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.02 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 78.7 t -128.65 140.3 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -55.35 162.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 53.8 t -109.89 120.29 45.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 61.96 5.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 65.0 m-85 -45.44 -48.52 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -44.97 -48.59 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.25 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.439 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.2 mt -44.05 -28.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tpm_? -67.15 -66.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.28 -22.32 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -121.92 94.38 48.22 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.31 20.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -107.04 53.72 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.15 -52.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 80' ' ' ILE . 37.9 t -139.6 140.21 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.12 133.4 44.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.785 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 63.7 t -119.35 127.5 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 p -145.71 170.56 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.42 -22.41 30.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 11.9 mt -43.92 165.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.686 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.93 145.04 31.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.9 141.4 57.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 70.39 33.79 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.686 HD12 ' HG2' ' A' ' 50' ' ' PRO . 39.5 mt -150.82 118.21 3.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.785 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 20.5 t80 -125.16 97.51 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.8 mtt180 -141.5 171.9 13.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.2 t30 -39.02 139.34 0.76 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.683 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.92 -11.63 21.65 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -91.69 71.3 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.05 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.683 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.2 m-85 -51.55 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ILE . 56.5 m-20 -129.63 172.3 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -40.17 -68.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.669 ' N ' HG22 ' A' ' 63' ' ' ILE . 2.4 m-70 -37.88 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.525 ' HD3' HD13 ' A' ' 53' ' ' ILE . 3.2 mmt85 -41.32 -59.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 66' ' ' LEU . 49.8 mt -47.91 -37.65 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.3 mm-40 -75.87 -49.29 18.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -55.36 -57.43 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 15' ' ' LEU . 19.6 mt -51.88 -44.87 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 8' ' ' LEU . 42.5 mt -65.46 -34.64 78.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' GLU . 12.5 mttt -72.22 -20.8 61.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -112.99 21.33 15.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HB2' HD13 ' A' ' 15' ' ' LEU . 28.9 ptt180 -58.93 -37.25 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.09 -25.64 55.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -82.54 -42.71 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 72' ' ' ALA . 75.9 t -47.6 127.09 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.7 tpt180 -141.03 137.18 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.1 mtt -112.03 140.59 46.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.0 t -133.04 120.71 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.568 HD13 HG22 ' A' ' 44' ' ' VAL . 14.4 mm -70.48 103.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -138.66 163.2 32.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 0.717 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.27 146.25 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.78 -121.88 1.65 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.76 100.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.949 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 98.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.76 -48.62 0.62 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -43.93 -50.58 8.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 0.827 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -58.99 1.94 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.81 -42.73 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.52 -47.27 73.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG22 ' HG ' ' A' ' 70' ' ' LEU . 94.0 t -65.12 -38.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 21.5 mttt -55.33 -57.41 11.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -59.55 -32.32 70.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 73' ' ' ARG . 4.2 tp -58.85 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.37 -37.81 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.46 HD21 HD23 ' A' ' 31' ' ' LEU . 3.5 m-20 -68.95 -39.6 79.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.8 mm-40 -62.25 -47.06 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -57.05 -52.31 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.551 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 1.9 t80 -47.79 -50.32 26.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.48 -56.62 16.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.22 -40.23 77.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 0.744 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.46 91.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.35 -8.35 49.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.96 82.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.05 -178.78 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.92 22.36 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -141.66 153.15 64.69 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.46 20.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 61.3 t -130.12 140.36 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -55.99 158.34 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.9 t -106.22 119.02 53.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.551 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 61.28 5.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 82.9 m-85 -45.56 -41.06 9.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -48.58 62.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.7 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.616 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.4 mt -42.3 -38.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -56.92 -60.93 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.64 -33.18 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -117.4 89.85 32.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.12 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.81 30.0 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.22 -53.17 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG22 HD13 ' A' ' 80' ' ' ILE . 33.8 t -136.22 140.92 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -100.25 133.68 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.774 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 53.6 t -120.48 127.47 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.9 p -145.97 171.25 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.07 -24.84 22.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -47.11 163.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.776 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -74.97 150.11 37.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.563 1.823 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.1 150.64 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.18 33.97 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.776 HD12 ' HG2' ' A' ' 50' ' ' PRO . 49.1 mt -150.98 118.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.5 Cg_endo -74.98 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.439 1.757 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.774 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.7 t80 -129.19 92.3 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.528 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 1.8 mtm-85 -141.08 175.27 9.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' THR . 2.6 t-20 -39.33 136.31 1.07 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -91.87 67.99 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.78 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.3 m-85 -49.86 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.32 170.58 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -43.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -60.25 -72.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.4 mtm180 -45.44 -51.44 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 24.0 mt -49.11 -42.61 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.6 mm-40 -75.56 -48.59 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.12 -53.82 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mt -53.05 -50.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.541 ' HG ' HG22 ' A' ' 12' ' ' VAL . 13.1 mt -61.5 -32.01 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 67' ' ' GLU . 8.1 mttt -74.56 -7.39 52.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -126.9 21.61 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HB2' HD13 ' A' ' 15' ' ' LEU . 32.7 ptt180 -60.74 -33.62 73.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.216 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.84 -16.83 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.279 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -93.22 -38.13 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 72' ' ' ALA . 38.3 t -52.85 130.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.5 tpp85 -144.16 135.3 25.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.429 ' HG2' HG22 ' A' ' 46' ' ' VAL . 54.4 mtt -110.0 142.8 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 84.9 t -134.69 120.96 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.575 HD13 HG22 ' A' ' 44' ' ' VAL . 14.7 mm -70.3 107.19 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.04 -55.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.49 102.54 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -169.57 -60.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 110.226 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m 61.69 126.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.56 155.74 17.05 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.1 m -121.26 162.08 20.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.8 m 47.09 85.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -138.79 137.8 37.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 -62.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.71 -86.7 0.43 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.95 87.07 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 0.701 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.26 103.62 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.73 -51.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -41.3 -51.8 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 0.837 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -44.02 -50.89 8.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.46 -35.53 79.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -67.54 -42.42 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG22 ' HG ' ' A' ' 70' ' ' LEU . 75.4 t -65.81 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 18.8 mtmt -54.68 -56.79 15.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.6 mm-40 -60.01 -33.06 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 73' ' ' ARG . 4.2 tp -57.9 -66.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.418 ' O ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m-85 -52.51 -38.09 58.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.466 HD21 HD23 ' A' ' 31' ' ' LEU . 3.6 m-20 -68.66 -37.29 79.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.1 mm-40 -64.27 -45.38 88.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' HG3' HG12 ' A' ' 76' ' ' VAL . 50.8 mmtt -59.23 -53.38 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.516 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.0 t80 -47.43 -50.86 21.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.89 -55.36 23.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.75 -40.91 85.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.4 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -71.64 -7.07 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 19.08 75.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -95.94 -173.15 2.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -125.04 22.02 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -143.56 152.43 56.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.13 17.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 66.3 t -126.37 140.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -56.4 156.92 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 45.7 t -105.96 118.99 53.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 62.24 5.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.6 m-85 -46.78 -42.97 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.47 -45.56 36.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -66.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.516 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.9 mt -40.5 -37.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.07 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -36.93 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -111.51 97.8 37.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.942 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.95 46.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.57 -54.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.55 HG22 HD13 ' A' ' 80' ' ' ILE . 39.5 t -139.08 141.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -100.63 133.25 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.911 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 65.2 t -119.13 123.37 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 p -141.43 172.15 13.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.51 -24.91 17.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.138 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -44.69 163.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.768 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 153.63 41.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.73 143.17 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t0 70.14 34.91 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' HG2' ' A' ' 50' ' ' PRO . 49.2 mt -151.88 119.0 3.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.911 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 17.2 t80 -127.9 93.35 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.3 mtt180 -141.34 173.23 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 60' ' ' THR . 1.8 t-20 -39.6 137.33 1.09 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.677 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -7.11 18.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -92.82 68.06 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER 179.16 -36.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.677 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.8 m-85 -47.5 174.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -111.06 162.25 15.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.68 -34.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -68.94 -72.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 69' ' ' ILE . 51.8 mtt180 -44.26 -47.08 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.0 mt -52.7 -45.54 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.71 -53.0 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -46.79 -58.57 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.361 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 65' ' ' ARG . 11.3 mt -48.87 -52.79 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HG ' HG22 ' A' ' 12' ' ' VAL . 12.2 mt -58.97 -29.47 67.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -23.32 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -113.34 26.51 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.9 ptt180 -62.34 -33.83 75.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.25 -32.18 49.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -75.52 -42.75 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.081 . . . . 0.0 109.588 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 72' ' ' ALA . 22.8 t -44.67 131.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 132.15 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.418 ' HE1' ' O ' ' A' ' 16' ' ' PHE . 54.4 mtt -107.24 143.19 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.6 t -135.98 117.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 44' ' ' VAL . 16.4 mm -68.34 100.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.83 -60.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.27 109.8 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -42.16 135.18 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.7 -59.27 2.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 110.063 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.99 122.48 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.2 p -168.05 115.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.6 p -179.09 124.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -60.34 148.78 35.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -107.84 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.63 157.52 9.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m 64.09 146.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 0.726 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 98.67 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.76 -49.72 6.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.873 ' CD2' HD12 ' A' ' 70' ' ' LEU . 7.7 mt -40.82 -45.53 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -53.06 -66.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 3.5 mt-10 -48.36 -42.32 31.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -54.13 -53.64 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 58' ' ' PRO . 33.4 t -65.59 -36.0 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' CE ' ' HG2' ' A' ' 10' ' ' GLU . 46.8 mtmt -54.0 -58.17 8.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mt-10 -58.95 -33.24 70.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.2 tp -58.19 -67.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.2 m-85 -51.31 -42.85 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m-20 -63.9 -41.97 97.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.3 mm-40 -59.39 -49.91 76.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -53.47 -53.57 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.3 -51.62 14.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.79 -56.04 17.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.82 -45.93 81.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.4 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.32 -4.98 42.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.98 79.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mt -97.31 -176.15 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 0.704 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -122.32 24.0 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -146.9 154.56 47.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.85 24.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 71.3 t -132.33 142.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.98 146.93 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 76.3 t -95.58 119.38 65.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.6 Cg_endo -75.02 61.4 5.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 87.3 m-85 -46.65 -41.41 14.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.61 -34.64 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 33' ' ' PRO . 86.2 mt -82.22 -64.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.673 HG21 ' HE2' ' A' ' 55' ' ' PHE . 8.0 mt -43.95 -30.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -52.27 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.17 -32.96 56.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -112.42 95.93 33.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.33 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -107.02 48.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.01 -53.89 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG22 HD13 ' A' ' 80' ' ' ILE . 44.6 t -138.77 140.2 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' MET . 4.8 tt0 -100.15 129.1 46.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.924 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 52.1 t -117.28 127.03 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.8 p -145.72 174.26 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.02 -28.29 8.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.639 1.212 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.0 mt -43.07 163.6 0.15 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.719 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 145.4 31.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.53 146.88 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t0 70.54 29.95 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.719 HD12 ' HG2' ' A' ' 50' ' ' PRO . 47.5 mt -150.76 118.33 3.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.447 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.924 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 4.2 t80 -128.11 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.82 179.24 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 60' ' ' THR . 3.3 t-20 -39.69 129.27 1.47 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.6 Cg_endo -74.87 -11.76 21.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.17 68.17 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.95 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -45.62 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -101.1 158.04 16.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -40.5 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.2 m170 -67.15 -72.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.724 ' O ' HD12 ' A' ' 69' ' ' ILE . 4.3 mtt180 -46.48 -45.27 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.1 -41.38 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.44 -47.74 63.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -57.4 -49.3 76.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.5 mt -56.44 -50.31 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.873 HD12 ' CD2' ' A' ' 8' ' ' LEU . 8.9 mt -56.69 -45.65 81.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.84 -27.18 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.912 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -103.01 23.73 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.3 ptt180 -67.83 -38.62 83.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -17.26 58.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -92.64 -38.95 11.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 72' ' ' ALA . 37.4 t -49.95 131.05 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.51 133.0 20.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.436 ' HG2' HG22 ' A' ' 46' ' ' VAL . 57.7 mtt -108.24 143.9 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.0 t -136.73 118.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.501 HD13 HG22 ' A' ' 44' ' ' VAL . 20.3 mm -67.96 101.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm -72.34 -48.28 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -142.85 140.59 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -127.89 152.88 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -165.67 107.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.66 110.6 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 84.68 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.79 169.02 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -147.56 -60.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.27 91.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -134.25 140.66 46.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.61 -131.52 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -49.57 125.34 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -168.87 -62.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.14 -64.64 0.73 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.579 1.174 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 70' ' ' LEU . 60.5 mt -48.58 -42.17 32.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -55.01 -52.55 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -24.56 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.05 -34.23 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 58' ' ' PRO . 50.6 t -76.21 -42.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -53.77 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -62.39 -32.2 72.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 73' ' ' ARG . 3.7 tp -60.38 -69.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.9 m-85 -50.88 -36.01 35.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.0 m-20 -70.94 -40.92 71.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -61.4 -47.9 83.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -56.75 -52.4 65.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 2.3 t80 -47.29 -49.84 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.21 -57.97 14.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -56.4 -40.03 73.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.0 89.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.1 mt -70.53 -9.47 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.192 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.39 80.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.41 -174.02 3.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.96 21.26 9.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -140.12 151.39 64.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.05 13.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 72.1 t -125.08 141.18 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.9 mt -57.84 161.43 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.6 t -109.34 120.38 45.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CD2' ' ND2' ' A' ' 57' ' ' ASN . 65.8 m-85 -44.36 -48.77 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -44.84 -46.41 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 33' ' ' PRO . 86.1 mt -67.84 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.548 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.6 mt -41.85 -31.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -57.78 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -28.15 62.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -116.68 96.32 48.15 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.6 53.33 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.56 -53.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.628 HG22 HD13 ' A' ' 80' ' ' ILE . 30.9 t -138.73 139.86 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -100.15 133.73 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.833 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.3 t -119.59 126.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.2 p -143.16 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.6 -24.99 12.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 13.5 mt -44.56 164.26 0.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.67 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.07 149.61 36.66 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.95 143.87 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.29 30.99 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.67 HD12 ' HG2' ' A' ' 50' ' ' PRO . 44.4 mt -149.15 118.44 3.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.833 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 2.9 t80 -129.69 94.25 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 2.2 mtm180 -140.86 177.33 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -39.7 135.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.679 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 -8.93 20.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -92.02 71.24 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.32 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.679 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.7 m-85 -51.7 172.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.59 168.71 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -39.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -62.95 -72.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.6 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -46.3 -47.26 18.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 66' ' ' LEU . 50.9 mt -55.5 -44.38 76.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.84 -53.16 16.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -49.11 -57.49 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 26.6 mt -53.6 -39.34 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' CD1' HD22 ' A' ' 8' ' ' LEU . 28.9 mt -68.26 -34.59 76.48 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -21.27 63.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.9 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -116.88 25.79 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.1 ptt180 -62.14 -34.12 75.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.26 -26.96 42.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.23 -41.35 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 72' ' ' ALA . 78.0 t -46.76 127.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -139.71 137.95 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.5 mtt -112.93 140.69 47.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 89.7 t -133.04 120.3 40.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 44' ' ' VAL . 15.5 mm -69.84 107.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.0 -57.4 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -137.77 95.87 3.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ASN . 4.4 tt0 -39.25 134.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.0 p -179.87 107.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.38 112.25 1.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.46 6.07 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.572 1.827 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.56 157.25 45.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.058 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 178.6 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 106.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.907 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -52.29 114.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.27 -94.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.3 125.75 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 95.8 p -88.75 96.67 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -76.87 -53.53 5.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.821 HD23 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -39.0 -49.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -48.19 -54.39 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.05 -42.05 76.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' HD11 ' A' ' 70' ' ' LEU . 21.0 mt-30 -53.08 -49.23 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 77.7 t -66.84 -40.97 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -51.56 -55.17 20.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mm-40 -61.0 -35.4 76.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.55 -67.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -51.31 -41.43 60.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m-20 -65.36 -38.78 91.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mm-40 -62.3 -45.46 93.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HG3' HG12 ' A' ' 76' ' ' VAL . 72.2 mmtt -61.76 -54.66 39.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.611 1.195 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 t80 -44.93 -51.87 9.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.98 -58.7 8.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.69 -46.36 74.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.03 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' A' ' 20' ' ' TYR . 15.0 mt -73.51 -8.74 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 24.31 62.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.14 -172.51 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.28 18.25 9.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.76 156.15 69.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.91 14.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 60.5 t -125.06 140.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -58.91 152.58 19.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.8 t -102.43 122.46 46.36 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.97 67.12 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.0 m-85 -52.95 -46.72 68.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -39.6 9.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.063 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.6 mt -76.42 -68.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.635 HG21 ' HE2' ' A' ' 55' ' ' PHE . 4.4 mt -40.06 -40.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -54.77 -51.68 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.22 -32.7 56.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.52 95.62 32.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.049 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.01 19.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -113.73 50.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.99 -53.02 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 80' ' ' ILE . 38.7 t -139.18 139.42 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.6 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.914 HG21 ' CE1' ' A' ' 55' ' ' PHE . 51.5 t -121.55 129.57 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.1 p -144.08 172.69 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.13 -26.39 13.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.9 mt -45.12 163.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.754 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 146.04 32.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.87 146.49 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.26 29.95 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.754 HD12 ' HG2' ' A' ' 50' ' ' PRO . 54.2 mt -150.43 118.73 3.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.477 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.6 Cg_endo -74.98 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.914 ' CE1' HG21 ' A' ' 46' ' ' VAL . 6.5 t80 -126.65 93.6 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.9 mtt180 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.482 ' O ' HG22 ' A' ' 60' ' ' THR . 0.5 OUTLIER -39.02 139.97 0.72 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.684 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -6.57 18.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -93.11 67.85 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.85 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.2 m-85 -49.39 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.67 162.06 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -36.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -73.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' O ' HD12 ' A' ' 69' ' ' ILE . 65.5 mtt85 -43.59 -48.92 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' A' ' 8' ' ' LEU . 19.8 mt -49.99 -48.01 52.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.01 -54.4 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -46.19 -57.05 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 65' ' ' ARG . 6.0 mt -49.21 -56.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.821 HD12 HD23 ' A' ' 8' ' ' LEU . 8.2 mt -54.87 -36.14 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -69.32 -24.93 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -109.68 29.69 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.69 -31.68 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.26 23.9 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -135.43 -45.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' ALA . 27.8 t -40.53 130.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 78' ' ' MET . 9.2 tpt180 -138.25 137.32 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.549 ' HG2' HG22 ' A' ' 46' ' ' VAL . 53.5 mtt -113.65 142.0 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.4 t -135.43 119.48 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 44' ' ' VAL . 17.5 mm -69.29 105.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.0 mm -77.11 -60.48 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -145.99 93.86 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -65.79 134.32 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -160.84 90.93 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.18 120.44 1.86 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.549 1.156 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 167.78 26.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.427 1.751 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -72.53 136.45 45.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.09 152.46 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -117.02 110.74 18.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.23 155.32 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -102.23 2.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 47.35 93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -100.55 108.84 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.46 -52.07 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.5 mt -41.87 -47.51 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -47.11 -52.3 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.12 -44.64 92.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -60.02 -30.98 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 8' ' ' LEU . 99.6 t -77.04 -37.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -54.56 -58.73 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.35 -32.79 68.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' CD2' HG22 ' A' ' 69' ' ' ILE . 4.7 tp -59.15 -69.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 11.4 m-85 -50.82 -37.5 43.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.425 HD21 HD23 ' A' ' 31' ' ' LEU . 3.8 m-20 -68.89 -40.88 78.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.3 mm-40 -60.59 -47.17 87.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -57.67 -55.57 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.733 ' HE1' HG21 ' A' ' 44' ' ' VAL . 1.9 t80 -45.77 -50.65 13.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.9 -58.59 11.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.13 84.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.58 -8.33 53.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.02 20.76 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -94.7 -174.53 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.74 21.59 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -144.98 154.14 54.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.26 21.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 61.8 t -127.96 140.43 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 17' ' ' ASN . 8.2 mt -58.91 149.85 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.199 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.9 t -100.17 116.85 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.5 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 89.9 m-85 -45.4 -37.54 5.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -53.55 -44.74 69.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.51 -65.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.544 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.0 mt -40.81 -35.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -54.33 42.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.65 -25.37 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 t -123.57 95.31 45.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.3 21.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.66 50.02 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.87 -51.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.733 HG21 ' HE1' ' A' ' 20' ' ' TYR . 75.5 t -135.66 142.52 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.762 ' HB2' HD11 ' A' ' 81' ' ' ILE . 5.8 tt0 -103.2 126.68 50.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 55' ' ' PHE . 56.2 t -115.2 124.63 71.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 p -144.97 172.76 12.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.75 -25.84 10.72 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.59 1.181 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.19 163.81 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.435 0.727 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.787 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 146.71 32.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.416 1.745 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 142.76 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.23 35.58 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.787 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -152.59 118.72 3.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.768 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -129.3 91.42 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASN . 51.2 mmt-85 -138.92 173.26 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -39.29 136.61 1.05 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -97.95 69.71 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.51 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.47 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.674 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-85 -50.64 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . 37.4 t70 -124.28 170.01 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.72 -66.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.599 ' N ' HG22 ' A' ' 63' ' ' ILE . 48.9 m-70 -39.09 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -44.83 -59.99 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 70' ' ' LEU . 32.1 mt -44.45 -36.96 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.2 mm-40 -78.53 -53.93 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.8 mttm -47.97 -62.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 21.1 mt -46.44 -53.81 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 66' ' ' LEU . 10.1 mt -59.3 -28.33 66.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -74.42 -33.66 63.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -100.11 10.38 41.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -43.19 -39.07 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.6 -46.85 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -61.65 -44.59 96.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 72' ' ' ALA . 70.5 t -45.35 129.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' MET . 7.8 tpt180 -145.5 136.92 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -110.9 144.44 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.49 118.97 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.85 HG22 ' O ' ' A' ' 82' ' ' ASN . 47.7 mm -67.45 92.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 45' ' ' GLU . 17.2 mm -48.4 -63.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.85 ' O ' HG22 ' A' ' 80' ' ' ILE . 1.6 t-20 -89.98 -153.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 80' ' ' ILE . 0.2 OUTLIER 69.39 148.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -114.53 -50.99 2.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.87 152.18 21.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.6 38.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.3 t -153.3 157.8 40.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t 63.75 157.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.35 131.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -76.41 91.0 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.81 -136.94 3.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -91.45 131.76 36.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.949 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.59 84.49 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.81 7.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 70' ' ' LEU . 29.4 mt -40.99 -48.29 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -45.95 -56.8 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.26 67.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG21 HD22 ' A' ' 66' ' ' LEU . 40.7 t -86.84 -44.01 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -50.96 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -64.47 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 69' ' ' ILE . 1.4 tp -57.82 -65.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.1 m-85 -52.96 -39.52 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.461 HD21 HD23 ' A' ' 31' ' ' LEU . 4.3 m-20 -67.55 -39.21 84.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.6 mm-40 -62.1 -47.22 85.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -55.59 -58.99 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.725 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.9 t80 -44.5 -50.26 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.05 -55.29 15.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.579 1.175 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.32 -40.84 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.47 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.71 -8.0 48.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.65 16.81 76.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.39 -168.16 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.225 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.76 21.83 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -146.95 157.52 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.06 28.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG13 ' HA3' ' A' ' 89' ' ' GLY . 79.1 t -137.54 140.87 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -56.39 158.34 4.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 64.8 t -109.66 118.92 49.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 66.7 6.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 77.1 m-85 -51.21 -41.72 60.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -45.86 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.06 -64.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.586 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.1 mt -42.09 -32.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -62.3 -56.39 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -127.52 89.31 51.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -7.61 19.37 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.31 31.9 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.23 -50.02 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.227 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.837 HG22 HD13 ' A' ' 80' ' ' ILE . 25.9 t -137.74 140.19 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -98.58 128.7 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.586 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.6 t -115.8 127.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -146.12 171.56 14.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 -27.48 10.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.1 mt -44.34 163.57 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.05 143.79 29.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -59.71 144.75 47.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 4.7 t0 71.21 33.92 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.603 HD12 ' HG2' ' A' ' 50' ' ' PRO . 21.8 mt -155.07 117.26 2.41 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.586 ' HE2' HG21 ' A' ' 37' ' ' ILE . 8.9 t80 -127.54 98.9 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ASN . 54.3 mmt-85 -139.76 177.17 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' O ' ' CG2' ' A' ' 60' ' ' THR . 15.0 t30 -39.92 130.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.95 -13.75 21.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.32 70.33 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.16 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.675 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.7 m-85 -47.53 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.04 -43.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -58.61 -72.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 109.7 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -47.22 -52.96 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 12' ' ' VAL . 17.3 mt -49.92 -45.87 51.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.0 mm-40 -69.45 -53.16 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -48.43 -51.48 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.0 mt -56.82 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD1' HD22 ' A' ' 8' ' ' LEU . 18.2 mt -62.54 -37.43 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -67.59 -12.51 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.749 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -123.78 14.79 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -51.84 -32.06 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.54 -40.79 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.53 -40.74 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 72' ' ' ALA . 76.4 t -46.98 127.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.1 tpt180 -145.43 136.62 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.3 mtt -111.58 141.51 45.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.6 116.83 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 44' ' ' VAL . 8.8 mm -67.55 102.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.02 -50.72 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -139.14 98.91 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.474 ' HG3' HG21 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -54.74 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 t 45.8 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.59 99.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 165.77 30.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.92 168.1 26.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -121.21 169.27 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.937 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.71 ' HA3' HG13 ' A' ' 30' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -58.47 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -57.68 135.0 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.7 -62.09 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -173.78 95.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -60.18 105.91 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -51.56 3.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt -43.06 -52.12 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -38.92 -57.93 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.66 77.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -53.45 -54.53 35.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.653 HG12 ' HB3' ' A' ' 58' ' ' PRO . 79.0 t -53.45 -44.73 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.07 -57.16 11.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.0 mm-40 -59.57 -34.04 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.3 tp -57.16 -68.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.6 m-85 -50.32 -42.68 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.425 HD21 HD23 ' A' ' 31' ' ' LEU . 3.5 m-20 -64.09 -41.88 97.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -59.7 -46.93 87.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HG3' HG12 ' A' ' 76' ' ' VAL . 13.8 mmtt -57.26 -53.73 54.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.0 t80 -47.31 -51.42 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.08 -57.78 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.1 -42.23 76.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -72.3 -9.04 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 15.66 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mt -93.87 -174.17 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.86 22.7 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -143.56 151.87 55.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.26 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.439 1.757 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 71.1 t -126.16 142.22 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 17' ' ' ASN . 8.3 mt -58.95 155.89 12.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 75.8 t -102.79 121.51 49.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.04 59.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 80.3 m-85 -43.63 -42.01 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -49.82 -53.24 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.4 -66.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.711 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.5 mt -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -54.89 -54.44 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.92 -41.04 75.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.4 t -108.98 102.19 47.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.11 14.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -99.74 53.41 0.93 Allowed 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.419 1.074 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.47 -52.87 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 80' ' ' ILE . 38.7 t -138.9 140.87 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.85 133.63 45.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.9 t -119.96 127.69 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 4.7 p -145.22 169.43 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.26 -23.64 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -46.26 163.36 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.4 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.788 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.96 145.75 31.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.89 142.49 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 70.78 35.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.788 HD12 ' HG2' ' A' ' 50' ' ' PRO . 42.7 mt -152.99 118.0 2.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.422 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.05 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.711 ' HE2' HG21 ' A' ' 37' ' ' ILE . 8.1 t80 -127.6 95.41 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.511 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 2.3 mtt180 -140.72 173.02 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.8 t-20 -38.48 135.02 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.667 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 -8.85 20.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.76 67.84 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.81 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.667 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.2 m-85 -48.87 174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -111.49 162.97 14.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -41.29 -36.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -73.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.504 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.743 ' O ' HD12 ' A' ' 69' ' ' ILE . 40.3 mtt85 -44.3 -48.05 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -53.22 -46.19 69.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.1 mm-40 -68.58 -55.25 12.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -44.69 -50.14 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 65' ' ' ARG . 5.2 mt -57.77 -55.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HG ' HG22 ' A' ' 12' ' ' VAL . 18.2 mt -55.77 -32.14 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -71.48 -22.93 61.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -113.5 22.06 14.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.69 -29.91 70.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -18.14 37.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -92.4 -40.01 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 72' ' ' ALA . 22.1 t -46.16 130.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.78 130.21 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.3 mtt -107.3 142.33 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 96.9 t -135.91 120.72 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 44' ' ' VAL . 14.6 mm -71.25 106.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -76.48 -55.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -136.18 121.91 19.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.56 155.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.8 p -142.65 -64.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 110.057 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 128.81 103.37 1.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 144.98 31.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -140.84 133.37 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -58.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 m 67.65 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m 61.09 85.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.61 -133.4 4.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 50.32 95.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.74 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -70.13 92.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.45 -45.71 1.41 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' A' ' 70' ' ' LEU . 17.4 mt -43.01 -53.34 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 0.717 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.72 -64.09 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -50.42 62.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.95 -49.38 40.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.623 HG12 ' HB3' ' A' ' 58' ' ' PRO . 68.3 t -61.27 -45.15 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -50.94 -54.77 21.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.3 mt-10 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' A' ' 73' ' ' ARG . 2.6 tp -57.04 -67.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.6 m-85 -51.94 -38.43 56.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.7 m-20 -68.2 -37.89 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.5 mm-40 -63.84 -46.07 86.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -57.76 -53.66 55.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' HE1' HG21 ' A' ' 44' ' ' VAL . 3.2 t80 -46.84 -50.66 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.25 -55.77 17.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.167 . . . . 0.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.44 -41.8 85.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.82 85.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.57 -6.79 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.34 77.66 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.76 -176.86 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.15 22.44 10.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.509 ' NH1' HG22 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -142.27 153.1 62.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.55 20.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.509 HG22 ' NH1' ' A' ' 28' ' ' ARG . 71.7 t -131.9 141.86 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.11 153.54 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.557 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 77.2 t -102.83 118.98 57.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 64.55 6.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.0 m-85 -51.31 -42.43 61.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -47.91 -43.15 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.98 -65.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.4 mt -40.67 -37.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -52.2 66.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.98 -35.82 62.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.19 98.15 41.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -16.33 20.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 11.9 t70 -104.37 49.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.42 -52.53 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 ' HE1' ' A' ' 20' ' ' TYR . 48.3 t -138.37 141.27 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 78' ' ' MET . 5.2 tt0 -101.45 128.81 47.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.932 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.1 t -116.98 123.18 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -142.22 172.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.356 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.95 -25.11 14.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.7 mt -44.85 163.67 0.19 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.732 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 148.43 35.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -64.06 144.08 57.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t70 70.61 30.62 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.732 HD12 ' HG2' ' A' ' 50' ' ' PRO . 42.1 mt -148.63 119.45 4.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.932 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.0 t80 -130.38 97.15 4.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 3.5 mtt180 -141.43 175.3 9.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.3 t-20 -39.62 135.35 1.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 -8.88 20.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' HB ' ' A' ' 60' ' ' THR . 11.8 t-20 -93.42 72.84 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER 174.27 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.0 m-85 -50.74 -175.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.62 -179.39 4.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.77 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -63.58 -73.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.573 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.891 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -43.26 -50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 15.6 mt -54.13 -56.38 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.15 -59.73 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.9 mmtm -41.19 -63.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.891 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.1 mt -45.16 -51.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.484 ' CD1' HD22 ' A' ' 8' ' ' LEU . 15.2 mt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.5 mttt -70.23 -16.69 63.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -119.2 16.8 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.454 ' HB2' HD13 ' A' ' 15' ' ' LEU . 39.6 ptt180 -54.94 -34.34 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -28.52 46.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.222 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -80.92 -40.59 24.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 72' ' ' ALA . 37.8 t -49.72 130.78 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -146.02 135.63 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -109.2 144.4 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.1 t -138.7 117.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.499 HD13 HG22 ' A' ' 44' ' ' VAL . 25.1 mm -66.93 106.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.6 mm -78.59 -55.46 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 5.6 t-20 -137.68 92.82 2.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HB3' HG21 ' A' ' 80' ' ' ILE . 12.5 pt20 -63.98 157.51 24.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 t -145.22 -60.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.78 127.32 1.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -178.15 3.98 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.449 1.762 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.489 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -170.56 136.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.066 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -111.71 157.51 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -172.6 161.34 4.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.033 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -167.44 139.29 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.928 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.5 -128.89 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -54.57 168.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.55 99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.023 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.51 -54.32 3.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt -40.65 -52.03 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.67 -57.36 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.07 87.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -48.75 -48.83 40.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 58' ' ' PRO . 75.2 t -61.65 -44.9 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 19.2 mtmt -49.92 -51.52 40.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' GLU . 14.9 mt-10 -63.91 -35.95 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.8 tp -56.15 -68.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.205 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.3 m-85 -49.35 -34.34 15.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.2 m-20 -72.63 -35.25 67.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.0 mm-40 -66.73 -42.16 86.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG3' HG12 ' A' ' 76' ' ' VAL . 47.8 mmtt -62.35 -55.49 27.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.537 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.0 t80 -45.9 -52.7 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.42 -57.66 10.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.54 -46.96 73.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.96 76.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.26 -6.85 45.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.31 23.98 69.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -101.73 -175.61 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.7 20.46 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -144.51 155.71 56.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 137.88 22.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 52.1 t -129.93 140.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.38 149.85 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.2 t -97.13 125.59 45.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.06 58.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 75.0 m-85 -43.11 -44.17 4.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.59 -46.36 39.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.7 mt -70.85 -67.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.625 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.9 mt -39.4 -40.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -51.45 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -73.03 -43.38 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -109.2 100.6 41.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -12.84 21.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -105.52 43.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.64 -50.95 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG22 HD13 ' A' ' 80' ' ' ILE . 40.9 t -137.98 142.47 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 18.6 tt0 -100.48 126.34 46.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.934 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 50.5 t -115.73 126.69 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.7 p -144.89 172.99 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -26.18 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -44.93 163.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.775 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 155.76 43.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.4 143.9 53.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 32.65 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.775 HD12 ' HG2' ' A' ' 50' ' ' PRO . 54.1 mt -150.42 118.96 3.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.92 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.934 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 2.8 t80 -127.97 93.64 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASN . 6.5 mtt180 -141.81 175.28 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' A' ' 60' ' ' THR . 4.6 t30 -39.48 138.38 0.96 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.95 -11.24 21.56 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -90.74 70.58 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.66 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.1 m-85 -50.97 177.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.44 162.94 15.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.49 -41.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -73.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.708 ' O ' HD12 ' A' ' 69' ' ' ILE . 51.5 mtt85 -43.11 -50.46 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.5 mt -49.68 -49.74 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.56 -51.81 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -45.44 -58.79 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mt -49.22 -57.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HG ' HG22 ' A' ' 12' ' ' VAL . 15.6 mt -53.26 -29.65 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -73.54 -31.54 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -105.07 20.51 18.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -54.32 -34.5 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -75.42 -42.88 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -66.0 -43.92 86.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 72' ' ' ALA . 25.4 t -43.31 130.41 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 78' ' ' MET . 4.7 tpp180 -147.58 135.61 21.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.412 ' HG2' HG22 ' A' ' 46' ' ' VAL . 56.7 mtt -111.35 143.3 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 87.2 t -136.73 119.09 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.52 HD13 HG22 ' A' ' 44' ' ' VAL . 42.2 mm -67.65 106.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -79.08 -47.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -149.42 104.62 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.77 161.43 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -179.33 113.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.7 137.81 2.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 156.44 43.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -131.2 136.11 47.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.8 p -167.31 113.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.9 102.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 67.05 102.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.97 -71.17 0.4 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 t -84.08 -71.02 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p 52.55 94.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.76 61.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.6 mt -43.7 -46.12 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -53.47 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -35.47 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.68 -56.01 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 58' ' ' PRO . 75.8 t -52.44 -42.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -51.43 -57.23 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.32 -37.04 76.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 69' ' ' ILE . 5.4 tp -54.71 -71.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.4 m-85 -47.19 -34.97 6.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -70.36 -40.48 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -60.71 -47.14 87.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 76' ' ' VAL . 10.0 mmtt -58.0 -57.98 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.5 t80 -43.09 -54.22 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.87 -59.77 7.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.24 -44.45 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.76 84.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.28 -9.83 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.73 19.92 67.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.84 -176.73 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.97 19.4 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.75 152.2 67.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.0 t -126.54 140.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.19 146.97 41.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 57.9 t -93.15 122.2 63.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 56.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 86.4 m-85 -42.0 -42.04 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -41.39 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 87.3 mt -76.85 -66.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.638 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.3 mt -40.11 -36.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -54.55 43.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.7 -39.42 73.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.0 t -109.12 100.81 42.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.09 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.12 49.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.46 -53.81 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.504 HG21 ' HE1' ' A' ' 20' ' ' TYR . 49.1 t -138.9 140.45 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' MET . 10.3 tt0 -98.53 127.52 44.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.962 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 55.3 t -117.07 125.38 73.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -145.11 173.19 12.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.46 -26.98 11.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.2 mt -44.67 161.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.568 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.35 147.33 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 0.7 OUTLIER 70.85 33.37 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.249 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 50' ' ' PRO . 16.9 mt -156.47 118.91 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.07 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.962 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 3.2 t80 -128.32 95.01 4.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 7.1 mtt-85 -141.53 175.24 9.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -39.74 137.3 1.13 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.96 -12.53 21.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -88.88 68.39 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.45 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.7 m-85 -49.3 177.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' ILE . 21.4 m-20 -113.55 159.28 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.96 -36.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.62 -72.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 69' ' ' ILE . 16.1 mtt85 -45.62 -45.15 13.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -53.39 -41.77 66.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.078 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.25 -52.96 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -45.15 -51.75 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mt -55.26 -54.36 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.234 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 12' ' ' VAL . 17.3 mt -57.21 -31.49 65.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.18 -24.53 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 109.375 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -110.97 27.37 9.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.74 -31.73 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.18 -33.83 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -75.11 -41.84 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 72' ' ' ALA . 33.2 t -47.81 130.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.6 tpt180 -146.53 136.71 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 56.2 mtt -112.32 143.86 42.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.68 118.41 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 44' ' ' VAL . 26.2 mm -67.25 105.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mm -76.34 -49.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -144.23 162.59 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.16 150.74 22.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.02 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.69 164.46 12.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 -68.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 m 61.75 97.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 60.25 -92.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.075 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -110.06 104.56 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -106.01 130.62 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.68 -81.7 0.07 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 55.54 91.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 0.776 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 p 179.02 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.71 -52.24 16.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 70' ' ' LEU . 13.4 mt -43.84 -50.62 7.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -43.12 -61.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.89 -42.27 79.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -54.41 -47.38 72.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.2 t -64.87 -37.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.234 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 16.4 mtmt -56.27 -59.72 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 3.1 mm-40 -57.21 -32.54 66.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD13 ' HB2' ' A' ' 73' ' ' ARG . 3.7 tp -58.6 -65.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -52.66 -41.75 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 HD21 HD23 ' A' ' 31' ' ' LEU . 2.3 m-20 -65.52 -43.35 90.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.5 mm-40 -57.52 -45.16 85.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.232 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -59.16 -58.44 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.577 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.1 t80 -43.13 -52.05 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.93 -56.32 14.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.16 -46.65 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.45 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.37 -6.82 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.61 70.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mt -103.18 -175.84 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -122.72 22.87 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -141.54 150.17 56.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.49 11.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 72.6 t -122.65 141.41 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -57.26 159.73 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.554 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 44.9 t -106.34 118.63 54.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.02 59.31 5.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 85.1 m-85 -42.95 -45.99 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -47.23 -43.06 21.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.72 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.8 mt -45.3 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -69.01 -56.96 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.63 -23.79 60.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -123.53 93.47 47.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.69 21.33 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.59 46.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.71 -53.81 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.577 HG21 ' HE1' ' A' ' 20' ' ' TYR . 61.0 t -136.28 143.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' MET . 10.6 tt0 -103.3 128.57 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 53.4 t -115.86 124.86 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -145.6 173.25 12.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.27 -27.71 9.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.4 mt -43.28 164.55 0.13 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.0 147.04 33.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.68 148.83 41.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 65.92 30.95 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -149.83 116.93 3.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.3 t80 -126.76 95.23 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 3.4 mtm180 -140.32 168.07 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' CG2' ' A' ' 60' ' ' THR . 7.5 p-10 -39.98 138.98 1.03 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.514 1.797 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -97.22 52.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -165.69 -40.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.674 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.4 m-85 -45.01 171.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -109.7 176.77 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.396 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -35.5 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -69.34 -72.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.766 ' O ' HD12 ' A' ' 69' ' ' ILE . 10.3 mtm180 -43.66 -47.34 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 66' ' ' LEU . 16.5 mt -52.75 -43.19 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.57 -47.14 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -49.91 -58.81 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.9 mt -48.03 -49.44 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 8' ' ' LEU . 20.2 mt -60.03 -35.21 74.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -22.39 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -111.5 18.35 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HB2' HD13 ' A' ' 15' ' ' LEU . 37.5 ptt180 -59.6 -31.71 69.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.23 -19.79 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -90.98 -41.19 11.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 72' ' ' ALA . 40.7 t -49.23 130.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -146.68 138.03 24.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 58.1 mtt -109.71 144.58 37.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.46 120.47 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.539 ' CD1' HG22 ' A' ' 44' ' ' VAL . 33.4 mm -67.95 106.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mm -79.05 -49.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -153.12 93.92 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -62.63 171.07 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.1 t -157.22 -53.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.16 157.48 27.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -64.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.7 109.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -155.16 149.72 26.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.4 -57.22 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.396 0.703 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -147.49 147.42 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.62 109.28 2.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m 53.29 88.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -134.78 87.33 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.95 -48.19 5.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' ARG . 10.5 mt -43.73 -53.67 5.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.5 tpp180 -38.7 -63.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.81 -51.09 54.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -48.8 -47.06 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' A' ' 58' ' ' PRO . 38.5 t -63.42 -43.09 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.21 -57.9 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.5 mm-40 -59.19 -33.97 71.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.6 tp -58.05 -67.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.2 m-85 -51.74 -40.26 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.7 m-20 -66.62 -40.29 88.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 109.376 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -61.85 -47.28 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HG3' HG12 ' A' ' 76' ' ' VAL . 8.8 mmtm -56.02 -55.39 33.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.15 -50.54 15.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.94 -56.9 16.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.02 -40.25 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.1 79.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.8 mt -72.48 -5.89 39.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.22 17.79 79.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -95.08 -172.98 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.92 23.82 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -143.43 151.55 54.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.756 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 74.6 t -122.6 141.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -57.59 156.82 7.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.559 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 56.1 t -105.6 118.78 54.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 71.76 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 39.2 m-85 -55.72 -41.45 73.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -46.5 61.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.192 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 38' ' ' ARG . 85.7 mt -70.16 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.525 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.8 mt -43.48 -28.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 10.9 tpp180 -67.77 -58.18 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.64 -28.65 66.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 t -119.48 95.29 49.17 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 110.073 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -12.47 21.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.79 47.25 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.16 -53.99 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.567 HG22 HD13 ' A' ' 80' ' ' ILE . 39.0 t -138.23 141.39 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -101.84 133.83 45.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.938 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 61.7 t -118.77 122.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 p -139.15 172.54 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 89.5 -25.44 10.99 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.456 1.098 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.9 mt -42.57 163.74 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 0.726 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.735 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 152.79 41.09 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -67.64 142.19 56.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.84 31.84 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.754 HD13 ' HG3' ' A' ' 65' ' ' ARG . 42.1 mt -148.41 118.54 4.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.938 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -130.93 97.26 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -139.5 176.23 8.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.8 OUTLIER -39.63 130.2 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.07 -3.97 14.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.559 1.821 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 20.3 p30 -96.83 63.13 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -176.24 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.6 m-85 -44.95 171.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -115.89 167.72 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -41.03 -33.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -67.28 -73.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.636 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.754 ' HG3' HD13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -44.7 -46.79 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 12' ' ' VAL . 94.9 mt -59.95 -49.35 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.3 mm-40 -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' LYS . 8.3 mttt -49.02 -61.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 65' ' ' ARG . 20.9 mt -47.11 -47.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.14 -32.32 72.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.2 mtpt -71.55 -23.05 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -114.45 21.51 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -56.77 -34.88 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -32.55 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.078 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -75.69 -41.9 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.542 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 72' ' ' ALA . 30.8 t -46.17 131.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 78' ' ' MET . 3.7 tpp85 -147.57 135.52 21.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.421 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 55.0 mtt -108.89 143.34 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.37 120.25 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 44' ' ' VAL . 15.7 mm -69.87 107.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.4 -56.96 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.99 163.83 15.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -80.36 136.24 36.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.58 164.98 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.76 149.06 19.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.48 2.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.6 p -115.56 -51.58 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 t -120.5 122.5 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.69 84.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -112.78 85.12 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.83 -136.51 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.1 111.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.959 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -97.77 97.71 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.55 -49.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.462 1.101 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 70' ' ' LEU . 25.7 mt -41.36 -52.71 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -40.08 -65.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -44.77 64.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.79 -41.03 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.667 HG21 HD22 ' A' ' 66' ' ' LEU . 60.4 t -68.89 -41.79 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -53.54 -55.67 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.9 mm-40 -60.71 -34.04 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -57.06 -66.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.9 m-85 -53.17 -40.26 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -66.22 -38.0 86.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -63.64 -45.74 88.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 76' ' ' VAL . 29.5 mmtt -58.73 -51.41 70.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.4 t80 -49.77 -48.74 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.61 17.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.32 -44.53 75.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -35.03 77.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -73.01 -5.4 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.24 23.25 74.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.29 -178.8 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.227 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.24 22.23 11.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.37 151.15 57.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.47 17.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 76.2 t -126.78 141.15 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -58.2 154.05 13.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 70.6 t -102.2 120.18 54.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 62.33 5.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.3 m-85 -50.08 -41.05 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -49.68 -44.66 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' ASP . 84.4 mt -72.09 -66.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.678 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.1 mt -40.36 -40.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -49.45 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -77.65 -37.58 49.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -108.96 100.97 42.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -14.84 21.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -107.49 52.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.38 -54.93 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.546 HG21 ' HE1' ' A' ' 20' ' ' TYR . 43.2 t -138.3 141.61 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' MET . 11.3 tt0 -102.51 125.98 49.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.883 HG21 ' CE1' ' A' ' 55' ' ' PHE . 47.6 t -113.4 128.15 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.0 p -145.46 170.4 16.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.14 -23.7 25.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.3 mt -45.76 163.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.822 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 150.93 38.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.17 143.71 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 70.61 32.99 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.822 HD12 ' HG2' ' A' ' 50' ' ' PRO . 26.9 mt -150.75 118.27 3.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.04 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.883 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.6 t80 -127.66 98.53 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.71 177.39 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.199 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -39.17 131.59 1.22 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -14.85 20.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.56 1.821 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -89.77 69.3 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.45 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -46.36 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ILE . 19.0 m-20 -112.12 167.53 10.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -38.91 -70.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.623 ' N ' HG22 ' A' ' 63' ' ' ILE . 33.1 m170 -37.81 -72.83 0.05 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 3.1 mmt85 -40.35 -58.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.667 HD22 HG21 ' A' ' 12' ' ' VAL . 14.9 mt -47.33 -42.15 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.3 mm-40 -72.86 -49.25 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 110.354 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -52.6 -52.11 56.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 11.5 mt -58.46 -49.26 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD1' HD22 ' A' ' 8' ' ' LEU . 11.5 mt -61.21 -30.66 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' GLU . 11.7 mttt -71.63 -27.48 63.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -107.68 9.93 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -44.77 -35.63 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.192 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -44.71 59.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -65.69 -39.42 91.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG12 ' HG3' ' A' ' 19' ' ' LYS . 43.9 t -45.92 128.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -147.7 135.76 21.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 56.7 mtt -110.16 144.31 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -137.14 117.12 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.533 HD13 HG22 ' A' ' 44' ' ' VAL . 19.6 mm -67.33 104.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.3 mm -74.34 -51.78 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.55 144.05 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -86.53 153.51 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p 179.87 96.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.41 115.21 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -55.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -157.02 145.37 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.2 106.2 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m 54.27 88.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 m 62.15 96.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.03 -73.17 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.431 1.082 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -112.45 168.32 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 m -162.28 92.06 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -100.9 -51.17 1.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.795 ' CD2' HD12 ' A' ' 70' ' ' LEU . 6.7 mt -39.96 -52.83 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CZ ' ' OD1' ' A' ' 59' ' ' ASN . 24.3 ttp180 -46.39 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.72 -49.96 35.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.488 ' HB2' HD11 ' A' ' 70' ' ' LEU . 16.5 mt-30 -45.66 -50.51 13.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 58' ' ' PRO . 42.5 t -68.45 -38.57 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 2.1 mtpt -52.36 -57.27 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.5 mt-10 -59.41 -34.4 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.235 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 5.8 tp -58.27 -71.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.7 m-85 -48.14 -40.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m-20 -66.85 -42.07 86.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.2 mm-40 -59.54 -47.26 86.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HG3' HG12 ' A' ' 76' ' ' VAL . 24.1 mmtt -56.58 -53.89 52.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t80 -46.16 -49.96 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.41 19.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.86 -47.04 83.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.19 77.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.3 -8.25 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.62 25.66 62.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.55 -172.08 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 0.724 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.81 21.45 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.68 151.59 60.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.7 14.55 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 80.5 t -125.32 144.16 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.0 mt -60.62 154.99 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 60.0 t -101.52 119.63 56.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 61.57 5.74 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 62.8 m-85 -44.59 -46.51 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -44.94 -49.81 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.88 -65.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.709 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.0 mt -43.07 -30.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' NH1' ' HD2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -63.13 -57.88 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.41 -37.7 74.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 t -110.36 99.4 40.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -17.29 19.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.95 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 -54.7 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 80' ' ' ILE . 25.0 t -141.06 141.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -99.92 133.0 44.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.826 HG21 ' CE1' ' A' ' 55' ' ' PHE . 29.7 t -119.85 129.7 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.4 p -146.25 174.76 11.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.66 -29.68 7.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.6 mt -45.0 162.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 144.12 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.01 149.17 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 1.1 t0 70.84 29.87 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' HG2' ' A' ' 50' ' ' PRO . 27.3 mt -154.77 117.8 2.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.826 ' CE1' HG21 ' A' ' 46' ' ' VAL . 4.2 t80 -127.01 96.4 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.2 mtm180 -141.18 176.95 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' HG22 ' A' ' 60' ' ' THR . 3.7 t-20 -39.09 133.53 1.13 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.663 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 -8.49 20.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.46 ' OD1' ' CZ ' ' A' ' 9' ' ' ARG . 2.1 t30 -93.49 68.88 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.5 OUTLIER 178.82 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-85 -48.87 174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.0 m-20 -114.94 168.34 10.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.2 mp -38.8 -70.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.622 ' N ' HG22 ' A' ' 63' ' ' ILE . 22.9 m170 -39.16 -72.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.661 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.598 ' O ' HD12 ' A' ' 69' ' ' ILE . 6.3 mtt85 -42.18 -58.58 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 66' ' ' LEU . 30.5 mt -46.65 -44.38 18.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.5 -49.8 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -49.42 -51.88 32.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.9 mt -54.63 -50.84 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.795 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.0 mt -58.2 -42.62 86.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -65.53 -21.87 66.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.973 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -111.65 26.71 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -66.07 -34.98 79.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.12 -20.78 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -88.3 -40.57 13.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 72' ' ' ALA . 55.9 t -48.04 129.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.27 139.81 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.52 ' HG2' HG22 ' A' ' 46' ' ' VAL . 55.9 mtt -115.12 139.25 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.0 t -131.46 120.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 44' ' ' VAL . 15.0 mm -70.68 106.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm -73.36 -49.1 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -121.28 104.13 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.24 161.9 19.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.85 141.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.18 -124.99 1.59 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.65 3.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.61 163.1 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.063 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -56.01 123.53 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -134.49 112.75 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 62.79 144.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.46 -82.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.424 1.077 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 m -62.26 169.1 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -57.66 103.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.1 -63.41 1.88 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.72 HD22 HD12 ' A' ' 70' ' ' LEU . 38.1 mt -41.23 -44.5 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -50.76 -54.07 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -42.24 95.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.86 -44.67 82.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 58' ' ' PRO . 52.1 t -69.35 -44.55 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -50.16 -49.86 50.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.2 mt-10 -65.18 -35.1 80.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -56.44 -65.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 16.6 m-85 -52.48 -42.15 64.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.41 HD21 HD23 ' A' ' 31' ' ' LEU . 4.7 m-20 -65.1 -38.8 91.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.2 mm-40 -62.77 -45.61 91.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -59.1 -53.8 54.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.553 ' CG ' HG22 ' A' ' 32' ' ' VAL . 1.8 t80 -47.45 -52.23 17.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.91 -54.78 20.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.09 -47.01 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -32.33 72.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 mt -73.91 -6.09 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.19 76.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -98.63 -174.86 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 21.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -143.84 153.99 58.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.757 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 69.8 t -129.34 141.81 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD23 HD21 ' A' ' 17' ' ' ASN . 8.2 mt -60.06 149.72 31.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 69.4 t -100.5 121.28 53.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.05 68.35 5.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 54.1 m-85 -51.87 -46.81 64.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -46.35 -46.01 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.45 -68.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.627 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.9 mt -40.19 -35.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -54.83 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -74.34 -31.82 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 t -113.92 95.01 36.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.01 21.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.23 46.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.91 -51.57 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG22 HD13 ' A' ' 80' ' ' ILE . 42.8 t -141.56 140.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.03 46.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.962 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.5 t -120.44 127.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.4 p -145.49 168.71 19.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 -21.8 41.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.0 mt -48.79 163.72 0.32 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.827 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 147.19 33.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.416 1.745 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -61.98 144.96 54.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 70.47 33.27 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.827 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.8 mt -152.25 118.64 3.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -163.56 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.962 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.0 t80 -128.0 96.58 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 54.2 mmt-85 -142.14 179.87 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.6 t-20 -39.62 131.19 1.41 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.683 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.94 -19.12 18.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -87.99 69.73 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.98 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.683 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.4 m-85 -46.22 173.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -108.38 167.05 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.648 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -39.41 -70.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.648 ' N ' HG22 ' A' ' 63' ' ' ILE . 89.9 m-70 -38.76 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.523 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.58 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.5 mtt85 -41.9 -58.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 18.2 mt -46.28 -48.44 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.14 -53.51 36.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -46.04 -55.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.6 mt -51.7 -44.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.72 HD12 HD22 ' A' ' 8' ' ' LEU . 43.3 mt -62.48 -38.41 89.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -17.6 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.91 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -117.64 32.54 6.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 36.1 ptt180 -70.72 -33.58 71.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.4 mm-40 -83.86 -21.57 31.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -85.27 -35.32 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 72' ' ' ALA . 35.5 t -54.51 129.99 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.21 130.2 20.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.167 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 49.8 mtt -106.31 143.45 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 93.6 t -136.57 119.45 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.372 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 44' ' ' VAL . 19.8 mm -70.37 108.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.2 mm -75.38 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -114.53 132.46 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.21 127.56 19.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.06 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.47 166.63 32.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.71 147.16 17.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -175.42 2.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 t -150.24 87.75 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.7 m -78.97 149.81 32.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.04 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.08 103.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.098 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 65.05 119.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.5 -123.11 6.96 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.05 84.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -132.21 87.67 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -74.85 -53.6 6.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.872 HD23 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -39.58 -53.1 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 0.72 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.92 -61.14 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -42.74 67.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -57.19 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 58' ' ' PRO . 32.9 t -57.99 -39.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -53.33 -56.81 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -59.78 -33.18 71.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.5 tp -59.16 -70.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' O ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m-85 -49.29 -38.53 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -68.14 -42.05 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.8 mm-40 -59.31 -46.71 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -56.52 -55.31 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.9 t80 -46.02 -52.99 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.77 -58.2 12.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.363 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.72 78.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -71.58 -8.13 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.56 65.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.08 -172.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -124.13 19.78 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 151.63 59.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.0 16.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.97 141.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.36 145.63 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 71.2 t -93.55 120.29 66.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -74.98 61.88 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 78.4 m-85 -45.56 -40.52 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -50.56 -53.04 33.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' ASP . 81.6 mt -62.63 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.2 mt -39.05 -44.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -50.36 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.6 t0 -75.19 -31.23 60.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.1 t -119.74 98.32 49.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 110.071 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -15.81 20.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -104.63 50.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.95 -53.44 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.502 HG22 HD13 ' A' ' 80' ' ' ILE . 54.2 t -138.85 143.44 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -104.48 132.62 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.957 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 57.0 t -119.44 123.01 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -143.21 174.11 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -27.08 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 54' ' ' PRO . 13.2 mt -43.26 164.86 0.12 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.489 0.759 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.692 ' HG2' HD12 ' A' ' 53' ' ' ILE . 17.9 Cg_endo -75.1 144.35 29.82 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.96 145.79 44.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 70.44 31.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.852 HD13 ' HG3' ' A' ' 65' ' ' ARG . 47.0 mt -152.18 118.31 3.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.957 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 5.4 t80 -128.71 101.15 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -143.77 177.51 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.1 t-20 -39.76 131.01 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.685 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -13.66 21.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.426 ' O ' ' HB ' ' A' ' 60' ' ' THR . 4.2 t-20 -91.17 72.08 6.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER 175.41 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.685 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.3 m-85 -48.03 170.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.7 m-20 -110.97 166.5 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -40.29 -38.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -61.39 -73.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.852 ' HG3' HD13 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -44.49 -53.49 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.352 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' HB3' HD22 ' A' ' 8' ' ' LEU . 43.0 mt -53.25 -51.5 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.42 -55.12 37.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.0 mmtm -52.69 -61.53 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mt -43.99 -60.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.872 HD12 HD23 ' A' ' 8' ' ' LEU . 5.7 mt -46.65 -33.65 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -72.27 -39.59 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -94.11 16.38 14.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' ILE . 38.3 ptt180 -53.84 -37.41 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.04 -40.75 62.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 110.334 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -67.21 -44.49 79.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 72' ' ' ALA . 72.6 t -44.29 127.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.0 tpp180 -145.62 135.4 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 16' ' ' PHE . 55.1 mtt -108.68 144.3 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.64 118.57 22.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.89 HG22 ' O ' ' A' ' 82' ' ' ASN . 46.6 mm -67.41 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD11 ' HB2' ' A' ' 45' ' ' GLU . 14.4 mm -47.14 -62.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.89 ' O ' HG22 ' A' ' 80' ' ' ILE . 3.9 t-20 -94.01 -152.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HB2' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER 75.28 -59.81 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 t 65.9 151.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.82 115.88 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.66 159.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m 61.62 -89.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -143.96 163.24 34.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -103.99 162.85 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.3 -113.14 4.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m 63.01 106.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -70.2 151.93 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.024 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.4 -50.47 2.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.694 HD22 HD12 ' A' ' 70' ' ' LEU . 37.6 mt -44.96 -45.52 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.572 ' HD3' HD11 ' A' ' 66' ' ' LEU . 6.1 tpp180 -50.11 -60.21 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -38.6 71.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.18 -58.83 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -53.61 -40.86 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 11.9 mtmt -53.78 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 17.1 mt-10 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 73' ' ' ARG . 5.9 tp -55.19 -71.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' O ' ' HE3' ' A' ' 78' ' ' MET . 10.2 m-85 -46.83 -41.88 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.54 HD21 HD23 ' A' ' 31' ' ' LEU . 3.3 m-20 -64.46 -44.76 90.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.3 mm-40 -55.39 -45.44 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -57.17 -57.61 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.703 ' HE1' HG21 ' A' ' 44' ' ' VAL . 1.4 t80 -44.8 -55.02 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.5 -54.31 8.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.0 -48.82 80.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.763 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.19 -33.99 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.4 -7.07 44.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.14 15.32 80.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mt -96.66 -179.15 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -120.92 24.18 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.94 149.58 53.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.05 146.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.54 HD23 HD21 ' A' ' 17' ' ' ASN . 6.2 mt -60.22 155.65 17.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 80.8 t -108.66 116.16 56.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.485 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CD2' ' OD1' ' A' ' 57' ' ' ASN . 77.5 m-85 -56.09 -35.83 67.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.93 68.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.44 -46.79 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.6 mt -62.69 -21.45 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' TYR . 13.7 tpt85 -72.36 -53.78 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.43 -26.59 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -116.67 92.11 36.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -11.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.24 49.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.43 -54.18 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.703 HG21 ' HE1' ' A' ' 20' ' ' TYR . 55.4 t -138.45 145.68 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -105.41 133.18 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.973 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 58.2 t -120.32 122.29 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -140.97 175.64 9.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.37 -29.85 6.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.0 mt -44.18 163.4 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.799 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.95 165.53 31.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.09 143.63 37.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 70.92 34.17 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.545 HD12 ' HG2' ' A' ' 50' ' ' PRO . 5.7 mt -152.5 117.76 2.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.973 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.2 t80 -134.29 92.7 2.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -137.93 178.44 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' OD1' ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -50.48 128.75 25.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.545 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 58.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.19 8.59 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -37.07 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.3 m-85 -42.54 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ILE . 17.4 m-20 -112.5 164.92 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.42 -34.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -67.9 -72.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.557 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 69' ' ' ILE . 12.9 mtt85 -47.08 -46.97 23.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.572 HD11 ' HD3' ' A' ' 9' ' ' ARG . 14.7 mt -52.6 -41.16 63.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.47 -54.34 7.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -45.11 -53.08 8.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 65' ' ' ARG . 7.4 mt -54.64 -40.25 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 8' ' ' LEU . 77.1 mt -69.04 -37.42 78.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -11.38 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -124.52 21.33 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' HD13 ' A' ' 15' ' ' LEU . 26.3 ptt-85 -60.11 -29.31 68.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -25.04 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.58 -47.63 12.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 72' ' ' ALA . 62.5 t -43.45 132.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -146.87 139.03 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.501 ' HE1' HG21 ' A' ' 32' ' ' VAL . 57.8 mtt -110.21 146.37 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 98.7 t -138.92 116.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 44' ' ' VAL . 47.5 mm -66.39 103.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mm -75.21 -57.91 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -124.5 120.26 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.09 116.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.315 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.52 144.74 0.22 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.08 100.74 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -67.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.5 90.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 117.47 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.51 154.36 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 85.66 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 0.714 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -92.72 100.75 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.98 -53.75 35.21 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.499 1.124 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt -42.66 -51.22 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -41.44 -52.97 3.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -44.64 89.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HB2' HD11 ' A' ' 70' ' ' LEU . 11.4 mt-30 -54.15 -42.5 69.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 79.1 t -69.93 -38.63 76.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 12.8 mttt -52.47 -60.84 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.09 -36.56 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.6 tp -55.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 16.9 m-85 -47.93 -40.89 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.479 HD21 HD23 ' A' ' 31' ' ' LEU . 3.1 m-20 -65.46 -42.94 91.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.6 -47.52 84.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -58.94 -50.41 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CG ' HG22 ' A' ' 32' ' ' VAL . 2.5 t80 -49.45 -49.59 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.17 -58.44 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -53.6 -50.97 64.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.17 69.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 20' ' ' TYR . 11.2 mt -69.18 -10.8 59.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.34 17.65 70.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.97 -169.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.67 18.47 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.95 151.97 69.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 130.27 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 77.7 t -122.23 141.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.4 mt -56.86 158.69 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.621 HG22 ' CG ' ' A' ' 20' ' ' TYR . 75.4 t -113.42 116.85 45.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.17 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.15 -37.75 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -37.3 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.57 -58.33 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.586 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.1 mt -52.48 -21.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -72.99 -66.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.67 -22.23 66.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -120.24 93.61 48.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -18.51 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.412 1.743 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.13 53.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.23 -49.95 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 80' ' ' ILE . 39.8 t -143.61 143.57 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -102.68 133.65 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.872 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 62.0 t -118.89 126.6 75.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.8 p -140.91 172.66 12.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 88.77 -24.8 11.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.3 mt -43.04 164.37 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.622 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.98 172.98 15.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -85.59 140.8 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.45 29.6 4.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' HG2' ' A' ' 50' ' ' PRO . 66.8 mt -143.23 117.79 6.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.872 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 32.0 t80 -130.24 91.53 3.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASN . 5.2 mtt180 -140.55 171.87 13.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.55 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -39.06 137.5 0.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.663 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.93 1.23 7.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.583 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.4 OUTLIER -97.05 57.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -170.43 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.3 m-85 -44.8 167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.79 167.54 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -36.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 67' ' ' GLU . 26.6 m80 -67.42 -72.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 69' ' ' ILE . 24.5 mtm180 -46.62 -46.62 19.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 70' ' ' LEU . 15.9 mt -53.93 -23.88 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.2 mm-40 -94.29 -45.4 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 9.8 mptt -47.82 -66.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.515 HG22 ' CD2' ' A' ' 15' ' ' LEU . 3.4 mt -44.07 -61.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 66' ' ' LEU . 16.1 mt -48.57 -30.63 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -72.95 -37.24 67.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -98.64 14.98 26.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ILE . 41.4 ptt180 -51.11 -27.71 8.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.91 -45.07 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -67.99 -38.33 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 72' ' ' ALA . 24.7 t -44.72 129.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -146.95 136.55 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 53.2 mtt -111.0 143.75 41.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 95.7 t -135.89 119.35 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 44' ' ' VAL . 21.6 mm -70.58 108.46 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -77.84 -57.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.06 116.38 19.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -76.97 129.0 35.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 80.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.19 117.49 0.67 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.549 1.815 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.9 p -155.66 161.2 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -163.23 95.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -90.8 116.09 28.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 0.82 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -82.81 82.0 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.75 -146.91 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 126.56 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -131.86 106.64 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.01 -52.61 2.54 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.409 HD22 HD12 ' A' ' 70' ' ' LEU . 21.1 mt -42.07 -46.68 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.81 -54.17 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -40.3 -39.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 58' ' ' PRO . 44.1 t -71.42 -53.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 4.8 mtpm? -44.05 -44.37 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.5 mt-10 -69.68 -35.03 74.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 73' ' ' ARG . 2.3 tp -58.64 -67.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 17.0 m-85 -48.87 -39.46 25.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 6.3 m-20 -68.65 -42.5 77.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.9 mm-40 -59.41 -47.06 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -57.92 -53.02 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.4 t80 -47.71 -50.57 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.47 -55.98 22.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.0 -43.88 86.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.4 84.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.8 mt -70.07 -8.07 46.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.87 15.83 76.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.61 -179.73 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -119.0 20.74 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.39 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.26 151.45 64.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.02 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 78.7 t -128.65 140.3 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -55.35 162.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 53.8 t -109.89 120.29 45.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 61.96 5.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 65.0 m-85 -45.44 -48.52 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -44.97 -48.59 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.25 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.439 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.2 mt -44.05 -28.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tpm_? -67.15 -66.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.28 -22.32 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -121.92 94.38 48.22 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.31 20.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -107.04 53.72 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.15 -52.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 80' ' ' ILE . 37.9 t -139.6 140.21 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.12 133.4 44.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.785 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 63.7 t -119.35 127.5 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 p -145.71 170.56 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.42 -22.41 30.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 11.9 mt -43.92 165.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.686 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.93 145.04 31.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.9 141.4 57.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 70.39 33.79 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.686 HD12 ' HG2' ' A' ' 50' ' ' PRO . 39.5 mt -150.82 118.21 3.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.785 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 20.5 t80 -125.16 97.51 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.8 mtt180 -141.5 171.9 13.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.2 t30 -39.02 139.34 0.76 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.683 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.92 -11.63 21.65 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -91.69 71.3 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.05 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.683 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.2 m-85 -51.55 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ILE . 56.5 m-20 -129.63 172.3 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -40.17 -68.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.669 ' N ' HG22 ' A' ' 63' ' ' ILE . 2.4 m-70 -37.88 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.525 ' HD3' HD13 ' A' ' 53' ' ' ILE . 3.2 mmt85 -41.32 -59.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 66' ' ' LEU . 49.8 mt -47.91 -37.65 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.3 mm-40 -75.87 -49.29 18.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -55.36 -57.43 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 15' ' ' LEU . 19.6 mt -51.88 -44.87 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 8' ' ' LEU . 42.5 mt -65.46 -34.64 78.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' GLU . 12.5 mttt -72.22 -20.8 61.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -112.99 21.33 15.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HB2' HD13 ' A' ' 15' ' ' LEU . 28.9 ptt180 -58.93 -37.25 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.09 -25.64 55.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -82.54 -42.71 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 72' ' ' ALA . 75.9 t -47.6 127.09 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.7 tpt180 -141.03 137.18 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.1 mtt -112.03 140.59 46.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.0 t -133.04 120.71 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.568 HD13 HG22 ' A' ' 44' ' ' VAL . 14.4 mm -70.48 103.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -70.93 -59.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.01 161.61 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.83 123.61 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.26 168.36 10.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.78 139.58 15.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -178.14 80.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.32 164.59 34.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.574 1.171 . . . . 0.0 110.984 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -58.99 1.94 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.81 -42.73 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.52 -47.27 73.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG22 ' HG ' ' A' ' 70' ' ' LEU . 94.0 t -65.12 -38.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 21.5 mttt -55.33 -57.41 11.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -59.55 -32.32 70.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 73' ' ' ARG . 4.2 tp -58.85 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.37 -37.81 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.46 HD21 HD23 ' A' ' 31' ' ' LEU . 3.5 m-20 -68.95 -39.6 79.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.8 mm-40 -62.25 -47.06 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -57.05 -52.31 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.551 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 1.9 t80 -47.79 -50.32 26.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.48 -56.62 16.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.22 -40.23 77.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 0.744 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.46 91.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.35 -8.35 49.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.96 82.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.05 -178.78 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.92 22.36 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -141.66 153.15 64.69 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.46 20.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 61.3 t -130.12 140.36 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -55.99 158.34 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.9 t -106.22 119.02 53.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.551 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 61.28 5.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 82.9 m-85 -45.56 -41.06 9.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -48.58 62.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.7 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.616 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.4 mt -42.3 -38.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -56.92 -60.93 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.64 -33.18 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -117.4 89.85 32.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.12 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.81 30.0 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.22 -53.17 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG22 HD13 ' A' ' 80' ' ' ILE . 33.8 t -136.22 140.92 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -100.25 133.68 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.774 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 53.6 t -120.48 127.47 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.9 p -145.97 171.25 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.07 -24.84 22.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -47.11 163.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.776 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -74.97 150.11 37.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.563 1.823 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.1 150.64 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.18 33.97 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.776 HD12 ' HG2' ' A' ' 50' ' ' PRO . 49.1 mt -150.98 118.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.5 Cg_endo -74.98 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.439 1.757 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.774 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.7 t80 -129.19 92.3 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.528 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 1.8 mtm-85 -141.08 175.27 9.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' THR . 2.6 t-20 -39.33 136.31 1.07 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -91.87 67.99 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.78 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.3 m-85 -49.86 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.32 170.58 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -43.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -60.25 -72.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.4 mtm180 -45.44 -51.44 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 24.0 mt -49.11 -42.61 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.6 mm-40 -75.56 -48.59 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.12 -53.82 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mt -53.05 -50.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.541 ' HG ' HG22 ' A' ' 12' ' ' VAL . 13.1 mt -61.5 -32.01 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 67' ' ' GLU . 8.1 mttt -74.56 -7.39 52.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -126.9 21.61 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HB2' HD13 ' A' ' 15' ' ' LEU . 32.7 ptt180 -60.74 -33.62 73.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.216 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.84 -16.83 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.279 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -93.22 -38.13 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 72' ' ' ALA . 38.3 t -52.85 130.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.5 tpp85 -144.16 135.3 25.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.429 ' HG2' HG22 ' A' ' 46' ' ' VAL . 54.4 mtt -110.0 142.8 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 84.9 t -134.69 120.96 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.575 HD13 HG22 ' A' ' 44' ' ' VAL . 14.7 mm -70.3 107.19 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -44.02 -50.89 8.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.46 -35.53 79.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -67.54 -42.42 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.554 HG22 ' HG ' ' A' ' 70' ' ' LEU . 75.4 t -65.81 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 18.8 mtmt -54.68 -56.79 15.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.6 mm-40 -60.01 -33.06 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 73' ' ' ARG . 4.2 tp -57.9 -66.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.418 ' O ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m-85 -52.51 -38.09 58.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.466 HD21 HD23 ' A' ' 31' ' ' LEU . 3.6 m-20 -68.66 -37.29 79.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.1 mm-40 -64.27 -45.38 88.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.454 ' HG3' HG12 ' A' ' 76' ' ' VAL . 50.8 mmtt -59.23 -53.38 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.516 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.0 t80 -47.43 -50.86 21.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.89 -55.36 23.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.75 -40.91 85.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.4 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -71.64 -7.07 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 19.08 75.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -95.94 -173.15 2.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -125.04 22.02 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -143.56 152.43 56.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.13 17.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 66.3 t -126.37 140.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -56.4 156.92 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 45.7 t -105.96 118.99 53.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 62.24 5.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.6 m-85 -46.78 -42.97 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.47 -45.56 36.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -66.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.516 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.9 mt -40.5 -37.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.07 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -36.93 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -111.51 97.8 37.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.942 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.95 46.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.57 -54.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.55 HG22 HD13 ' A' ' 80' ' ' ILE . 39.5 t -139.08 141.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -100.63 133.25 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.911 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 65.2 t -119.13 123.37 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 p -141.43 172.15 13.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.51 -24.91 17.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.138 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -44.69 163.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.768 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 153.63 41.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.73 143.17 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t0 70.14 34.91 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' HG2' ' A' ' 50' ' ' PRO . 49.2 mt -151.88 119.0 3.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.911 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 17.2 t80 -127.9 93.35 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.3 mtt180 -141.34 173.23 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 60' ' ' THR . 1.8 t-20 -39.6 137.33 1.09 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.677 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -7.11 18.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -92.82 68.06 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER 179.16 -36.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.677 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.8 m-85 -47.5 174.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -111.06 162.25 15.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.68 -34.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -68.94 -72.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 69' ' ' ILE . 51.8 mtt180 -44.26 -47.08 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.0 mt -52.7 -45.54 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.71 -53.0 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -46.79 -58.57 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.361 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 65' ' ' ARG . 11.3 mt -48.87 -52.79 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HG ' HG22 ' A' ' 12' ' ' VAL . 12.2 mt -58.97 -29.47 67.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -23.32 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -113.34 26.51 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.9 ptt180 -62.34 -33.83 75.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.25 -32.18 49.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -75.52 -42.75 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.081 . . . . 0.0 109.588 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 72' ' ' ALA . 22.8 t -44.67 131.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 132.15 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.418 ' HE1' ' O ' ' A' ' 16' ' ' PHE . 54.4 mtt -107.24 143.19 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.6 t -135.98 117.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 44' ' ' VAL . 16.4 mm -68.34 100.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 35.4 mm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.873 ' CD2' HD12 ' A' ' 70' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -53.06 -66.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 3.5 mt-10 -48.36 -42.32 31.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -54.13 -53.64 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 58' ' ' PRO . 33.4 t -65.59 -36.0 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' CE ' ' HG2' ' A' ' 10' ' ' GLU . 46.8 mtmt -54.0 -58.17 8.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mt-10 -58.95 -33.24 70.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.2 tp -58.19 -67.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.2 m-85 -51.31 -42.85 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m-20 -63.9 -41.97 97.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.3 mm-40 -59.39 -49.91 76.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -53.47 -53.57 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.3 -51.62 14.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.79 -56.04 17.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.82 -45.93 81.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.4 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.32 -4.98 42.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.98 79.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mt -97.31 -176.15 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 0.704 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -122.32 24.0 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -146.9 154.56 47.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.85 24.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 71.3 t -132.33 142.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.98 146.93 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 76.3 t -95.58 119.38 65.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.6 Cg_endo -75.02 61.4 5.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 87.3 m-85 -46.65 -41.41 14.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.61 -34.64 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 33' ' ' PRO . 86.2 mt -82.22 -64.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.673 HG21 ' HE2' ' A' ' 55' ' ' PHE . 8.0 mt -43.95 -30.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -52.27 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.17 -32.96 56.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -112.42 95.93 33.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.33 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -107.02 48.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.01 -53.89 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG22 HD13 ' A' ' 80' ' ' ILE . 44.6 t -138.77 140.2 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' MET . 4.8 tt0 -100.15 129.1 46.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.924 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 52.1 t -117.28 127.03 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.8 p -145.72 174.26 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.02 -28.29 8.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.639 1.212 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.0 mt -43.07 163.6 0.15 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.719 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 145.4 31.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.53 146.88 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t0 70.54 29.95 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.719 HD12 ' HG2' ' A' ' 50' ' ' PRO . 47.5 mt -150.76 118.33 3.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.447 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.924 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 4.2 t80 -128.11 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.82 179.24 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 60' ' ' THR . 3.3 t-20 -39.69 129.27 1.47 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.6 Cg_endo -74.87 -11.76 21.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.17 68.17 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.95 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -45.62 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -101.1 158.04 16.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -40.5 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.2 m170 -67.15 -72.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.724 ' O ' HD12 ' A' ' 69' ' ' ILE . 4.3 mtt180 -46.48 -45.27 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.1 -41.38 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.44 -47.74 63.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -57.4 -49.3 76.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.5 mt -56.44 -50.31 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.873 HD12 ' CD2' ' A' ' 8' ' ' LEU . 8.9 mt -56.69 -45.65 81.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.84 -27.18 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.912 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -103.01 23.73 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.3 ptt180 -67.83 -38.62 83.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -17.26 58.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -92.64 -38.95 11.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 72' ' ' ALA . 37.4 t -49.95 131.05 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.51 133.0 20.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.436 ' HG2' HG22 ' A' ' 46' ' ' VAL . 57.7 mtt -108.24 143.9 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.0 t -136.73 118.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.501 HD13 HG22 ' A' ' 44' ' ' VAL . 20.3 mm -67.96 101.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 70' ' ' LEU . 60.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -55.01 -52.55 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -24.56 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.05 -34.23 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 58' ' ' PRO . 50.6 t -76.21 -42.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -53.77 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -62.39 -32.2 72.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 73' ' ' ARG . 3.7 tp -60.38 -69.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.9 m-85 -50.88 -36.01 35.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.0 m-20 -70.94 -40.92 71.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -61.4 -47.9 83.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -56.75 -52.4 65.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 2.3 t80 -47.29 -49.84 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.21 -57.97 14.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -56.4 -40.03 73.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.0 89.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.1 mt -70.53 -9.47 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.192 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.39 80.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.41 -174.02 3.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.96 21.26 9.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -140.12 151.39 64.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.05 13.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 72.1 t -125.08 141.18 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.9 mt -57.84 161.43 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.6 t -109.34 120.38 45.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CD2' ' ND2' ' A' ' 57' ' ' ASN . 65.8 m-85 -44.36 -48.77 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -44.84 -46.41 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 33' ' ' PRO . 86.1 mt -67.84 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.548 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.6 mt -41.85 -31.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -57.78 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -28.15 62.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -116.68 96.32 48.15 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.6 53.33 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.56 -53.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.628 HG22 HD13 ' A' ' 80' ' ' ILE . 30.9 t -138.73 139.86 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -100.15 133.73 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.833 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.3 t -119.59 126.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.2 p -143.16 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.6 -24.99 12.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 13.5 mt -44.56 164.26 0.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.67 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.07 149.61 36.66 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.95 143.87 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.29 30.99 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.67 HD12 ' HG2' ' A' ' 50' ' ' PRO . 44.4 mt -149.15 118.44 3.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.833 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 2.9 t80 -129.69 94.25 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.494 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 2.2 mtm180 -140.86 177.33 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -39.7 135.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.679 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 -8.93 20.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -92.02 71.24 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.32 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.679 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.7 m-85 -51.7 172.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.59 168.71 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -39.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -62.95 -72.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.6 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -46.3 -47.26 18.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 66' ' ' LEU . 50.9 mt -55.5 -44.38 76.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.84 -53.16 16.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -49.11 -57.49 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 26.6 mt -53.6 -39.34 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' CD1' HD22 ' A' ' 8' ' ' LEU . 28.9 mt -68.26 -34.59 76.48 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -21.27 63.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.9 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -116.88 25.79 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.1 ptt180 -62.14 -34.12 75.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.26 -26.96 42.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.23 -41.35 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 72' ' ' ALA . 78.0 t -46.76 127.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -139.71 137.95 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.5 mtt -112.93 140.69 47.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 89.7 t -133.04 120.3 40.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 44' ' ' VAL . 15.5 mm -69.84 107.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.5 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.821 HD23 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -48.19 -54.39 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.05 -42.05 76.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' HD11 ' A' ' 70' ' ' LEU . 21.0 mt-30 -53.08 -49.23 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 77.7 t -66.84 -40.97 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -51.56 -55.17 20.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mm-40 -61.0 -35.4 76.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.55 -67.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -51.31 -41.43 60.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m-20 -65.36 -38.78 91.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mm-40 -62.3 -45.46 93.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HG3' HG12 ' A' ' 76' ' ' VAL . 72.2 mmtt -61.76 -54.66 39.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.611 1.195 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 t80 -44.93 -51.87 9.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.98 -58.7 8.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.69 -46.36 74.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.03 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' A' ' 20' ' ' TYR . 15.0 mt -73.51 -8.74 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 24.31 62.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.14 -172.51 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.28 18.25 9.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.76 156.15 69.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.91 14.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 60.5 t -125.06 140.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -58.91 152.58 19.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.8 t -102.43 122.46 46.36 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.97 67.12 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.0 m-85 -52.95 -46.72 68.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -39.6 9.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.063 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.6 mt -76.42 -68.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.635 HG21 ' HE2' ' A' ' 55' ' ' PHE . 4.4 mt -40.06 -40.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -54.77 -51.68 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.22 -32.7 56.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.52 95.62 32.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.049 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.01 19.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -113.73 50.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.99 -53.02 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 80' ' ' ILE . 38.7 t -139.18 139.42 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.6 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.914 HG21 ' CE1' ' A' ' 55' ' ' PHE . 51.5 t -121.55 129.57 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.1 p -144.08 172.69 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.13 -26.39 13.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.9 mt -45.12 163.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.754 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 146.04 32.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.87 146.49 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.26 29.95 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.754 HD12 ' HG2' ' A' ' 50' ' ' PRO . 54.2 mt -150.43 118.73 3.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.477 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.6 Cg_endo -74.98 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.914 ' CE1' HG21 ' A' ' 46' ' ' VAL . 6.5 t80 -126.65 93.6 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.9 mtt180 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.482 ' O ' HG22 ' A' ' 60' ' ' THR . 0.5 OUTLIER -39.02 139.97 0.72 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.684 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -6.57 18.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -93.11 67.85 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.85 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.2 m-85 -49.39 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.67 162.06 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -36.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -73.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' O ' HD12 ' A' ' 69' ' ' ILE . 65.5 mtt85 -43.59 -48.92 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' A' ' 8' ' ' LEU . 19.8 mt -49.99 -48.01 52.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.01 -54.4 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -46.19 -57.05 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 65' ' ' ARG . 6.0 mt -49.21 -56.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.821 HD12 HD23 ' A' ' 8' ' ' LEU . 8.2 mt -54.87 -36.14 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -69.32 -24.93 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -109.68 29.69 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.69 -31.68 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.26 23.9 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -135.43 -45.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' ALA . 27.8 t -40.53 130.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 78' ' ' MET . 9.2 tpt180 -138.25 137.32 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.549 ' HG2' HG22 ' A' ' 46' ' ' VAL . 53.5 mtt -113.65 142.0 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.4 t -135.43 119.48 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 44' ' ' VAL . 17.5 mm -69.29 105.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.0 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.5 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -47.11 -52.3 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.12 -44.64 92.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -60.02 -30.98 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 8' ' ' LEU . 99.6 t -77.04 -37.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -54.56 -58.73 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.35 -32.79 68.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' CD2' HG22 ' A' ' 69' ' ' ILE . 4.7 tp -59.15 -69.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 11.4 m-85 -50.82 -37.5 43.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.425 HD21 HD23 ' A' ' 31' ' ' LEU . 3.8 m-20 -68.89 -40.88 78.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.3 mm-40 -60.59 -47.17 87.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -57.67 -55.57 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.733 ' HE1' HG21 ' A' ' 44' ' ' VAL . 1.9 t80 -45.77 -50.65 13.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.9 -58.59 11.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.13 84.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.58 -8.33 53.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.02 20.76 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -94.7 -174.53 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.74 21.59 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -144.98 154.14 54.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.26 21.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 61.8 t -127.96 140.43 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 17' ' ' ASN . 8.2 mt -58.91 149.85 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.199 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.489 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.9 t -100.17 116.85 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.5 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 89.9 m-85 -45.4 -37.54 5.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -53.55 -44.74 69.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.51 -65.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.544 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.0 mt -40.81 -35.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -54.33 42.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.65 -25.37 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 t -123.57 95.31 45.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.3 21.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.66 50.02 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.87 -51.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.733 HG21 ' HE1' ' A' ' 20' ' ' TYR . 75.5 t -135.66 142.52 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.762 ' HB2' HD11 ' A' ' 81' ' ' ILE . 5.8 tt0 -103.2 126.68 50.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 55' ' ' PHE . 56.2 t -115.2 124.63 71.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 p -144.97 172.76 12.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.75 -25.84 10.72 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.59 1.181 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.19 163.81 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.435 0.727 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.787 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 146.71 32.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.416 1.745 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 142.76 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.23 35.58 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.787 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -152.59 118.72 3.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.768 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -129.3 91.42 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASN . 51.2 mmt-85 -138.92 173.26 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.3 t30 -39.29 136.61 1.05 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -97.95 69.71 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.51 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.47 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.674 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-85 -50.64 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . 37.4 t70 -124.28 170.01 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.72 -66.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.599 ' N ' HG22 ' A' ' 63' ' ' ILE . 48.9 m-70 -39.09 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -44.83 -59.99 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 70' ' ' LEU . 32.1 mt -44.45 -36.96 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.2 mm-40 -78.53 -53.93 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.8 mttm -47.97 -62.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 21.1 mt -46.44 -53.81 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 66' ' ' LEU . 10.1 mt -59.3 -28.33 66.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -74.42 -33.66 63.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -100.11 10.38 41.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -43.19 -39.07 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.6 -46.85 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -61.65 -44.59 96.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 72' ' ' ALA . 70.5 t -45.35 129.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' MET . 7.8 tpt180 -145.5 136.92 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -110.9 144.44 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.49 118.97 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.516 HD13 HG22 ' A' ' 44' ' ' VAL . 47.7 mm -67.45 92.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 45' ' ' GLU . 17.2 mm . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 70' ' ' LEU . 29.4 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -45.95 -56.8 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.26 67.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG21 HD22 ' A' ' 66' ' ' LEU . 40.7 t -86.84 -44.01 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -50.96 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -64.47 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 69' ' ' ILE . 1.4 tp -57.82 -65.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.1 m-85 -52.96 -39.52 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.461 HD21 HD23 ' A' ' 31' ' ' LEU . 4.3 m-20 -67.55 -39.21 84.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.6 mm-40 -62.1 -47.22 85.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -55.59 -58.99 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.725 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.9 t80 -44.5 -50.26 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.05 -55.29 15.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.579 1.175 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.32 -40.84 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.47 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.71 -8.0 48.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.65 16.81 76.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.39 -168.16 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.225 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.76 21.83 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -146.95 157.52 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.06 28.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 79.1 t -137.54 140.87 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -56.39 158.34 4.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 64.8 t -109.66 118.92 49.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 66.7 6.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 77.1 m-85 -51.21 -41.72 60.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -45.86 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.06 -64.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.586 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.1 mt -42.09 -32.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -62.3 -56.39 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -127.52 89.31 51.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -7.61 19.37 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.31 31.9 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.23 -50.02 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.227 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.837 HG22 HD13 ' A' ' 80' ' ' ILE . 25.9 t -137.74 140.19 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -98.58 128.7 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.586 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.6 t -115.8 127.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -146.12 171.56 14.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 -27.48 10.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.1 mt -44.34 163.57 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.05 143.79 29.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -59.71 144.75 47.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 4.7 t0 71.21 33.92 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.603 HD12 ' HG2' ' A' ' 50' ' ' PRO . 21.8 mt -155.07 117.26 2.41 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.586 ' HE2' HG21 ' A' ' 37' ' ' ILE . 8.9 t80 -127.54 98.9 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ASN . 54.3 mmt-85 -139.76 177.17 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' O ' ' CG2' ' A' ' 60' ' ' THR . 15.0 t30 -39.92 130.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.95 -13.75 21.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.32 70.33 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.16 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.675 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.7 m-85 -47.53 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.04 -43.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -58.61 -72.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 109.7 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -47.22 -52.96 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 12' ' ' VAL . 17.3 mt -49.92 -45.87 51.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.0 mm-40 -69.45 -53.16 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -48.43 -51.48 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.0 mt -56.82 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD1' HD22 ' A' ' 8' ' ' LEU . 18.2 mt -62.54 -37.43 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -67.59 -12.51 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.749 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -123.78 14.79 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -51.84 -32.06 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.54 -40.79 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.53 -40.74 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 72' ' ' ALA . 76.4 t -46.98 127.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.1 tpt180 -145.43 136.62 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.3 mtt -111.58 141.51 45.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.6 116.83 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 44' ' ' VAL . 8.8 mm -67.55 102.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -38.92 -57.93 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.66 77.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -53.45 -54.53 35.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.653 HG12 ' HB3' ' A' ' 58' ' ' PRO . 79.0 t -53.45 -44.73 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.07 -57.16 11.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.0 mm-40 -59.57 -34.04 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.3 tp -57.16 -68.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.6 m-85 -50.32 -42.68 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.425 HD21 HD23 ' A' ' 31' ' ' LEU . 3.5 m-20 -64.09 -41.88 97.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -59.7 -46.93 87.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HG3' HG12 ' A' ' 76' ' ' VAL . 13.8 mmtt -57.26 -53.73 54.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.0 t80 -47.31 -51.42 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.08 -57.78 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.1 -42.23 76.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -72.3 -9.04 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 15.66 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mt -93.87 -174.17 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.86 22.7 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -143.56 151.87 55.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.26 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.439 1.757 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 71.1 t -126.16 142.22 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 17' ' ' ASN . 8.3 mt -58.95 155.89 12.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 75.8 t -102.79 121.51 49.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.04 59.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 80.3 m-85 -43.63 -42.01 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -49.82 -53.24 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.4 -66.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.711 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.5 mt -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -54.89 -54.44 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.92 -41.04 75.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.4 t -108.98 102.19 47.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.11 14.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -99.74 53.41 0.93 Allowed 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.419 1.074 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.47 -52.87 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 80' ' ' ILE . 38.7 t -138.9 140.87 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.85 133.63 45.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.9 t -119.96 127.69 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 4.7 p -145.22 169.43 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.26 -23.64 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -46.26 163.36 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.4 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.788 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.96 145.75 31.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.89 142.49 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 70.78 35.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.788 HD12 ' HG2' ' A' ' 50' ' ' PRO . 42.7 mt -152.99 118.0 2.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.422 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.05 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.711 ' HE2' HG21 ' A' ' 37' ' ' ILE . 8.1 t80 -127.6 95.41 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.511 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 2.3 mtt180 -140.72 173.02 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.8 t-20 -38.48 135.02 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.667 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 -8.85 20.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.76 67.84 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.81 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.667 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.2 m-85 -48.87 174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -111.49 162.97 14.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -41.29 -36.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -73.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.504 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.743 ' O ' HD12 ' A' ' 69' ' ' ILE . 40.3 mtt85 -44.3 -48.05 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -53.22 -46.19 69.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.1 mm-40 -68.58 -55.25 12.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -44.69 -50.14 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 65' ' ' ARG . 5.2 mt -57.77 -55.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HG ' HG22 ' A' ' 12' ' ' VAL . 18.2 mt -55.77 -32.14 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -71.48 -22.93 61.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -113.5 22.06 14.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.69 -29.91 70.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -18.14 37.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -92.4 -40.01 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 72' ' ' ALA . 22.1 t -46.16 130.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.78 130.21 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.3 mtt -107.3 142.33 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 96.9 t -135.91 120.72 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 44' ' ' VAL . 14.6 mm -71.25 106.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' A' ' 70' ' ' LEU . 17.4 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.72 -64.09 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -50.42 62.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.95 -49.38 40.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.623 HG12 ' HB3' ' A' ' 58' ' ' PRO . 68.3 t -61.27 -45.15 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -50.94 -54.77 21.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.3 mt-10 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' A' ' 73' ' ' ARG . 2.6 tp -57.04 -67.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.6 m-85 -51.94 -38.43 56.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.7 m-20 -68.2 -37.89 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.5 mm-40 -63.84 -46.07 86.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -57.76 -53.66 55.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' HE1' HG21 ' A' ' 44' ' ' VAL . 3.2 t80 -46.84 -50.66 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.25 -55.77 17.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.167 . . . . 0.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.44 -41.8 85.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.82 85.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.57 -6.79 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.34 77.66 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.76 -176.86 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.15 22.44 10.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.509 ' NH1' HG22 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -142.27 153.1 62.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.55 20.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.509 HG22 ' NH1' ' A' ' 28' ' ' ARG . 71.7 t -131.9 141.86 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.11 153.54 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.557 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 77.2 t -102.83 118.98 57.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 64.55 6.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.0 m-85 -51.31 -42.43 61.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -47.91 -43.15 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.98 -65.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.451 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.4 mt -40.67 -37.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -52.2 66.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.98 -35.82 62.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.19 98.15 41.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -16.33 20.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -104.37 49.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.42 -52.53 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 ' HE1' ' A' ' 20' ' ' TYR . 48.3 t -138.37 141.27 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 78' ' ' MET . 5.2 tt0 -101.45 128.81 47.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.932 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.1 t -116.98 123.18 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -142.22 172.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.356 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.95 -25.11 14.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.7 mt -44.85 163.67 0.19 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.732 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 148.43 35.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -64.06 144.08 57.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t70 70.61 30.62 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.732 HD12 ' HG2' ' A' ' 50' ' ' PRO . 42.1 mt -148.63 119.45 4.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.932 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.0 t80 -130.38 97.15 4.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 3.5 mtt180 -141.43 175.3 9.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.3 t-20 -39.62 135.35 1.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 -8.88 20.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' HB ' ' A' ' 60' ' ' THR . 11.8 t-20 -93.42 72.84 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER 174.27 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.0 m-85 -50.74 -175.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.62 -179.39 4.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.77 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -63.58 -73.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.573 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.891 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -43.26 -50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 15.6 mt -54.13 -56.38 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.15 -59.73 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.9 mmtm -41.19 -63.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.891 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.1 mt -45.16 -51.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.484 ' CD1' HD22 ' A' ' 8' ' ' LEU . 15.2 mt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.5 mttt -70.23 -16.69 63.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -119.2 16.8 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.454 ' HB2' HD13 ' A' ' 15' ' ' LEU . 39.6 ptt180 -54.94 -34.34 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -28.52 46.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.222 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -80.92 -40.59 24.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 72' ' ' ALA . 37.8 t -49.72 130.78 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -146.02 135.63 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -109.2 144.4 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.1 t -138.7 117.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.499 HD13 HG22 ' A' ' 44' ' ' VAL . 25.1 mm -66.93 106.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.6 mm . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.67 -57.36 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.07 87.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -48.75 -48.83 40.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 58' ' ' PRO . 75.2 t -61.65 -44.9 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 19.2 mtmt -49.92 -51.52 40.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' GLU . 14.9 mt-10 -63.91 -35.95 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.8 tp -56.15 -68.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.205 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.3 m-85 -49.35 -34.34 15.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.2 m-20 -72.63 -35.25 67.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.0 mm-40 -66.73 -42.16 86.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG3' HG12 ' A' ' 76' ' ' VAL . 47.8 mmtt -62.35 -55.49 27.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.537 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.0 t80 -45.9 -52.7 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.42 -57.66 10.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.54 -46.96 73.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.96 76.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.26 -6.85 45.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.31 23.98 69.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -101.73 -175.61 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.7 20.46 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -144.51 155.71 56.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 137.88 22.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 52.1 t -129.93 140.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.38 149.85 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.2 t -97.13 125.59 45.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.06 58.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 75.0 m-85 -43.11 -44.17 4.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.59 -46.36 39.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.7 mt -70.85 -67.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.625 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.9 mt -39.4 -40.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -51.45 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -73.03 -43.38 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -109.2 100.6 41.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -12.84 21.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -105.52 43.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.64 -50.95 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.52 HG22 HD13 ' A' ' 80' ' ' ILE . 40.9 t -137.98 142.47 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 18.6 tt0 -100.48 126.34 46.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.934 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 50.5 t -115.73 126.69 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.7 p -144.89 172.99 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -26.18 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -44.93 163.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.775 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 155.76 43.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.4 143.9 53.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 32.65 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.775 HD12 ' HG2' ' A' ' 50' ' ' PRO . 54.1 mt -150.42 118.96 3.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.92 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.934 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 2.8 t80 -127.97 93.64 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASN . 6.5 mtt180 -141.81 175.28 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' A' ' 60' ' ' THR . 4.6 t30 -39.48 138.38 0.96 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.95 -11.24 21.56 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -90.74 70.58 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.66 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.1 m-85 -50.97 177.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.44 162.94 15.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.49 -41.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -73.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.708 ' O ' HD12 ' A' ' 69' ' ' ILE . 51.5 mtt85 -43.11 -50.46 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.5 mt -49.68 -49.74 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.56 -51.81 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -45.44 -58.79 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mt -49.22 -57.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HG ' HG22 ' A' ' 12' ' ' VAL . 15.6 mt -53.26 -29.65 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -73.54 -31.54 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -105.07 20.51 18.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -54.32 -34.5 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -75.42 -42.88 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -66.0 -43.92 86.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 72' ' ' ALA . 25.4 t -43.31 130.41 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 78' ' ' MET . 4.7 tpp180 -147.58 135.61 21.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.412 ' HG2' HG22 ' A' ' 46' ' ' VAL . 56.7 mtt -111.35 143.3 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 87.2 t -136.73 119.09 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.52 HD13 HG22 ' A' ' 44' ' ' VAL . 42.2 mm -67.65 106.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -53.47 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -35.47 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.68 -56.01 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 58' ' ' PRO . 75.8 t -52.44 -42.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -51.43 -57.23 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.32 -37.04 76.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 69' ' ' ILE . 5.4 tp -54.71 -71.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.4 m-85 -47.19 -34.97 6.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -70.36 -40.48 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -60.71 -47.14 87.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 76' ' ' VAL . 10.0 mmtt -58.0 -57.98 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.5 t80 -43.09 -54.22 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.87 -59.77 7.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.24 -44.45 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.76 84.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.28 -9.83 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.73 19.92 67.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.84 -176.73 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.97 19.4 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.75 152.2 67.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.0 t -126.54 140.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.19 146.97 41.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 57.9 t -93.15 122.2 63.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 56.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 86.4 m-85 -42.0 -42.04 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -41.39 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 87.3 mt -76.85 -66.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.638 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.3 mt -40.11 -36.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -54.55 43.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.7 -39.42 73.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.0 t -109.12 100.81 42.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.09 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.12 49.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.46 -53.81 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.504 HG21 ' HE1' ' A' ' 20' ' ' TYR . 49.1 t -138.9 140.45 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' MET . 10.3 tt0 -98.53 127.52 44.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.962 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 55.3 t -117.07 125.38 73.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -145.11 173.19 12.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.46 -26.98 11.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.2 mt -44.67 161.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.568 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.35 147.33 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 0.7 OUTLIER 70.85 33.37 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.249 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 50' ' ' PRO . 16.9 mt -156.47 118.91 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.07 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.962 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 3.2 t80 -128.32 95.01 4.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 7.1 mtt-85 -141.53 175.24 9.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.5 t30 -39.74 137.3 1.13 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.96 -12.53 21.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -88.88 68.39 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.45 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.7 m-85 -49.3 177.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' ILE . 21.4 m-20 -113.55 159.28 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.96 -36.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.62 -72.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 69' ' ' ILE . 16.1 mtt85 -45.62 -45.15 13.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -53.39 -41.77 66.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.078 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.25 -52.96 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -45.15 -51.75 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mt -55.26 -54.36 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.234 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 12' ' ' VAL . 17.3 mt -57.21 -31.49 65.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.18 -24.53 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 109.375 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -110.97 27.37 9.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.74 -31.73 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.18 -33.83 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -75.11 -41.84 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 72' ' ' ALA . 33.2 t -47.81 130.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.6 tpt180 -146.53 136.71 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 56.2 mtt -112.32 143.86 42.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.68 118.41 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 44' ' ' VAL . 26.2 mm -67.25 105.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mm . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 70' ' ' LEU . 13.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -43.12 -61.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.89 -42.27 79.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.41 -47.38 72.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.2 t -64.87 -37.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.234 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 16.4 mtmt -56.27 -59.72 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 3.1 mm-40 -57.21 -32.54 66.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 HD13 ' HB2' ' A' ' 73' ' ' ARG . 3.7 tp -58.6 -65.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -52.66 -41.75 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 HD21 HD23 ' A' ' 31' ' ' LEU . 2.3 m-20 -65.52 -43.35 90.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.5 mm-40 -57.52 -45.16 85.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.232 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -59.16 -58.44 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.577 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.1 t80 -43.13 -52.05 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.93 -56.32 14.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.16 -46.65 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.45 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.37 -6.82 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.61 70.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mt -103.18 -175.84 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -122.72 22.87 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -141.54 150.17 56.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.49 11.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 72.6 t -122.65 141.41 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -57.26 159.73 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.554 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 44.9 t -106.34 118.63 54.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.02 59.31 5.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 85.1 m-85 -42.95 -45.99 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -47.23 -43.06 21.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.72 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.8 mt -45.3 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -69.01 -56.96 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.63 -23.79 60.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -123.53 93.47 47.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.69 21.33 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.59 46.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.71 -53.81 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.577 HG21 ' HE1' ' A' ' 20' ' ' TYR . 61.0 t -136.28 143.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' MET . 10.6 tt0 -103.3 128.57 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 53.4 t -115.86 124.86 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -145.6 173.25 12.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.27 -27.71 9.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.4 mt -43.28 164.55 0.13 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.0 147.04 33.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.68 148.83 41.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 65.92 30.95 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -149.83 116.93 3.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.3 t80 -126.76 95.23 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 3.4 mtm180 -140.32 168.07 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' CG2' ' A' ' 60' ' ' THR . 7.5 p-10 -39.98 138.98 1.03 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.514 1.797 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -97.22 52.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -165.69 -40.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.674 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.4 m-85 -45.01 171.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -109.7 176.77 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.396 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -35.5 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -69.34 -72.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.766 ' O ' HD12 ' A' ' 69' ' ' ILE . 10.3 mtm180 -43.66 -47.34 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 66' ' ' LEU . 16.5 mt -52.75 -43.19 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.57 -47.14 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -49.91 -58.81 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.9 mt -48.03 -49.44 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 8' ' ' LEU . 20.2 mt -60.03 -35.21 74.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -22.39 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -111.5 18.35 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HB2' HD13 ' A' ' 15' ' ' LEU . 37.5 ptt180 -59.6 -31.71 69.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.23 -19.79 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -90.98 -41.19 11.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 72' ' ' ALA . 40.7 t -49.23 130.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -146.68 138.03 24.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 58.1 mtt -109.71 144.58 37.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.46 120.47 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.539 ' CD1' HG22 ' A' ' 44' ' ' VAL . 33.4 mm -67.95 106.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' ARG . 10.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.5 tpp180 -38.7 -63.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.81 -51.09 54.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -48.8 -47.06 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' A' ' 58' ' ' PRO . 38.5 t -63.42 -43.09 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.21 -57.9 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.5 mm-40 -59.19 -33.97 71.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.6 tp -58.05 -67.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.2 m-85 -51.74 -40.26 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.7 m-20 -66.62 -40.29 88.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 109.376 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -61.85 -47.28 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HG3' HG12 ' A' ' 76' ' ' VAL . 8.8 mmtm -56.02 -55.39 33.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.15 -50.54 15.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.94 -56.9 16.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.02 -40.25 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.1 79.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.8 mt -72.48 -5.89 39.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.22 17.79 79.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -95.08 -172.98 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.92 23.82 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -143.43 151.55 54.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.756 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 74.6 t -122.6 141.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -57.59 156.82 7.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.559 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 56.1 t -105.6 118.78 54.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 71.76 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 39.2 m-85 -55.72 -41.45 73.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -46.5 61.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.192 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 38' ' ' ARG . 85.7 mt -70.16 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.525 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.8 mt -43.48 -28.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 10.9 tpp180 -67.77 -58.18 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.64 -28.65 66.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 t -119.48 95.29 49.17 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 110.073 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -12.47 21.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.79 47.25 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.16 -53.99 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.567 HG22 HD13 ' A' ' 80' ' ' ILE . 39.0 t -138.23 141.39 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -101.84 133.83 45.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.938 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 61.7 t -118.77 122.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 p -139.15 172.54 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 89.5 -25.44 10.99 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.456 1.098 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.9 mt -42.57 163.74 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 0.726 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.735 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 152.79 41.09 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -67.64 142.19 56.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.84 31.84 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.754 HD13 ' HG3' ' A' ' 65' ' ' ARG . 42.1 mt -148.41 118.54 4.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.938 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -130.93 97.26 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -139.5 176.23 8.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.8 OUTLIER -39.63 130.2 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.07 -3.97 14.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.559 1.821 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 20.3 p30 -96.83 63.13 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -176.24 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.6 m-85 -44.95 171.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -115.89 167.72 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -41.03 -33.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -67.28 -73.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.636 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.754 ' HG3' HD13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -44.7 -46.79 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 12' ' ' VAL . 94.9 mt -59.95 -49.35 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.3 mm-40 -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' LYS . 8.3 mttt -49.02 -61.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 65' ' ' ARG . 20.9 mt -47.11 -47.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.14 -32.32 72.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.2 mtpt -71.55 -23.05 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -114.45 21.51 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -56.77 -34.88 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -32.55 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.078 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -75.69 -41.9 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.542 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 72' ' ' ALA . 30.8 t -46.17 131.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 78' ' ' MET . 3.7 tpp85 -147.57 135.52 21.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.421 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 55.0 mtt -108.89 143.34 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.37 120.25 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 44' ' ' VAL . 15.7 mm -69.87 107.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.2 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 70' ' ' LEU . 25.7 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -40.08 -65.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -44.77 64.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.79 -41.03 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.667 HG21 HD22 ' A' ' 66' ' ' LEU . 60.4 t -68.89 -41.79 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -53.54 -55.67 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.9 mm-40 -60.71 -34.04 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -57.06 -66.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.9 m-85 -53.17 -40.26 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -66.22 -38.0 86.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -63.64 -45.74 88.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 76' ' ' VAL . 29.5 mmtt -58.73 -51.41 70.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.4 t80 -49.77 -48.74 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.61 17.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.32 -44.53 75.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -35.03 77.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -73.01 -5.4 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.24 23.25 74.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.29 -178.8 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.227 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.24 22.23 11.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.37 151.15 57.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.47 17.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 76.2 t -126.78 141.15 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -58.2 154.05 13.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 70.6 t -102.2 120.18 54.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 62.33 5.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.3 m-85 -50.08 -41.05 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -49.68 -44.66 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' ASP . 84.4 mt -72.09 -66.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.678 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.1 mt -40.36 -40.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -49.45 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -77.65 -37.58 49.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -108.96 100.97 42.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -14.84 21.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -107.49 52.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.38 -54.93 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.546 HG21 ' HE1' ' A' ' 20' ' ' TYR . 43.2 t -138.3 141.61 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' MET . 11.3 tt0 -102.51 125.98 49.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.883 HG21 ' CE1' ' A' ' 55' ' ' PHE . 47.6 t -113.4 128.15 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.0 p -145.46 170.4 16.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.14 -23.7 25.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.3 mt -45.76 163.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.822 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 150.93 38.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.17 143.71 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 70.61 32.99 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.822 HD12 ' HG2' ' A' ' 50' ' ' PRO . 26.9 mt -150.75 118.27 3.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.04 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.883 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.6 t80 -127.66 98.53 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.71 177.39 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.199 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -39.17 131.59 1.22 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -14.85 20.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.56 1.821 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -89.77 69.3 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.45 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -46.36 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ILE . 19.0 m-20 -112.12 167.53 10.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -38.91 -70.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.623 ' N ' HG22 ' A' ' 63' ' ' ILE . 33.1 m170 -37.81 -72.83 0.05 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 3.1 mmt85 -40.35 -58.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.667 HD22 HG21 ' A' ' 12' ' ' VAL . 14.9 mt -47.33 -42.15 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.3 mm-40 -72.86 -49.25 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 110.354 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -52.6 -52.11 56.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 11.5 mt -58.46 -49.26 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD1' HD22 ' A' ' 8' ' ' LEU . 11.5 mt -61.21 -30.66 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' GLU . 11.7 mttt -71.63 -27.48 63.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -107.68 9.93 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -44.77 -35.63 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.192 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -44.71 59.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -65.69 -39.42 91.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG12 ' HG3' ' A' ' 19' ' ' LYS . 43.9 t -45.92 128.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -147.7 135.76 21.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 56.7 mtt -110.16 144.31 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -137.14 117.12 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.533 HD13 HG22 ' A' ' 44' ' ' VAL . 19.6 mm -67.33 104.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.795 ' CD2' HD12 ' A' ' 70' ' ' LEU . 6.7 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CZ ' ' OD1' ' A' ' 59' ' ' ASN . 24.3 ttp180 -46.39 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.72 -49.96 35.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.488 ' HB2' HD11 ' A' ' 70' ' ' LEU . 16.5 mt-30 -45.66 -50.51 13.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 58' ' ' PRO . 42.5 t -68.45 -38.57 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 2.1 mtpt -52.36 -57.27 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.5 mt-10 -59.41 -34.4 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.235 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 5.8 tp -58.27 -71.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.7 m-85 -48.14 -40.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m-20 -66.85 -42.07 86.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.2 mm-40 -59.54 -47.26 86.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HG3' HG12 ' A' ' 76' ' ' VAL . 24.1 mmtt -56.58 -53.89 52.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t80 -46.16 -49.96 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.41 19.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.86 -47.04 83.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.19 77.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.3 -8.25 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.62 25.66 62.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.55 -172.08 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 0.724 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.81 21.45 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.68 151.59 60.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.7 14.55 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 80.5 t -125.32 144.16 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.0 mt -60.62 154.99 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 60.0 t -101.52 119.63 56.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 61.57 5.74 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 62.8 m-85 -44.59 -46.51 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -44.94 -49.81 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.88 -65.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.709 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.0 mt -43.07 -30.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' NH1' ' HD2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -63.13 -57.88 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.41 -37.7 74.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 t -110.36 99.4 40.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -17.29 19.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.95 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 -54.7 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 80' ' ' ILE . 25.0 t -141.06 141.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -99.92 133.0 44.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.826 HG21 ' CE1' ' A' ' 55' ' ' PHE . 29.7 t -119.85 129.7 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.4 p -146.25 174.76 11.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.66 -29.68 7.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.6 mt -45.0 162.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 144.12 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.01 149.17 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 1.1 t0 70.84 29.87 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' HG2' ' A' ' 50' ' ' PRO . 27.3 mt -154.77 117.8 2.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.826 ' CE1' HG21 ' A' ' 46' ' ' VAL . 4.2 t80 -127.01 96.4 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.2 mtm180 -141.18 176.95 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' HG22 ' A' ' 60' ' ' THR . 3.7 t-20 -39.09 133.53 1.13 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.663 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 -8.49 20.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.46 ' OD1' ' CZ ' ' A' ' 9' ' ' ARG . 2.1 t30 -93.49 68.88 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.5 OUTLIER 178.82 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-85 -48.87 174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.0 m-20 -114.94 168.34 10.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.2 mp -38.8 -70.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.622 ' N ' HG22 ' A' ' 63' ' ' ILE . 22.9 m170 -39.16 -72.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.661 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.598 ' O ' HD12 ' A' ' 69' ' ' ILE . 6.3 mtt85 -42.18 -58.58 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 66' ' ' LEU . 30.5 mt -46.65 -44.38 18.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.5 -49.8 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -49.42 -51.88 32.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.9 mt -54.63 -50.84 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.795 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.0 mt -58.2 -42.62 86.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -65.53 -21.87 66.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.973 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -111.65 26.71 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -66.07 -34.98 79.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.12 -20.78 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -88.3 -40.57 13.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 72' ' ' ALA . 55.9 t -48.04 129.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.27 139.81 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.52 ' HG2' HG22 ' A' ' 46' ' ' VAL . 55.9 mtt -115.12 139.25 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.0 t -131.46 120.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 44' ' ' VAL . 15.0 mm -70.68 106.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.72 HD22 HD12 ' A' ' 70' ' ' LEU . 38.1 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -50.76 -54.07 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -42.24 95.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.86 -44.67 82.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 58' ' ' PRO . 52.1 t -69.35 -44.55 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -50.16 -49.86 50.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.2 mt-10 -65.18 -35.1 80.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -56.44 -65.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 16.6 m-85 -52.48 -42.15 64.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.41 HD21 HD23 ' A' ' 31' ' ' LEU . 4.7 m-20 -65.1 -38.8 91.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.2 mm-40 -62.77 -45.61 91.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -59.1 -53.8 54.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.553 ' CG ' HG22 ' A' ' 32' ' ' VAL . 1.8 t80 -47.45 -52.23 17.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.91 -54.78 20.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.09 -47.01 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -32.33 72.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 mt -73.91 -6.09 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.19 76.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -98.63 -174.86 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 21.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -143.84 153.99 58.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.757 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 69.8 t -129.34 141.81 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD23 HD21 ' A' ' 17' ' ' ASN . 8.2 mt -60.06 149.72 31.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 69.4 t -100.5 121.28 53.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.05 68.35 5.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 54.1 m-85 -51.87 -46.81 64.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -46.35 -46.01 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.45 -68.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.627 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.9 mt -40.19 -35.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -54.83 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -74.34 -31.82 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 t -113.92 95.01 36.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.01 21.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.23 46.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.91 -51.57 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG22 HD13 ' A' ' 80' ' ' ILE . 42.8 t -141.56 140.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.03 46.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.962 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.5 t -120.44 127.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.4 p -145.49 168.71 19.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 -21.8 41.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.0 mt -48.79 163.72 0.32 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.827 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 147.19 33.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.416 1.745 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -61.98 144.96 54.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 70.47 33.27 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.827 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.8 mt -152.25 118.64 3.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -163.56 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.962 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.0 t80 -128.0 96.58 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.428 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 54.2 mmt-85 -142.14 179.87 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.6 t-20 -39.62 131.19 1.41 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.683 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.94 -19.12 18.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -87.99 69.73 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.98 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.683 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.4 m-85 -46.22 173.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -108.38 167.05 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.648 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -39.41 -70.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.648 ' N ' HG22 ' A' ' 63' ' ' ILE . 89.9 m-70 -38.76 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.523 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.58 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.5 mtt85 -41.9 -58.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 18.2 mt -46.28 -48.44 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.14 -53.51 36.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -46.04 -55.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.6 mt -51.7 -44.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.72 HD12 HD22 ' A' ' 8' ' ' LEU . 43.3 mt -62.48 -38.41 89.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -17.6 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.91 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -117.64 32.54 6.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 36.1 ptt180 -70.72 -33.58 71.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.4 mm-40 -83.86 -21.57 31.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -85.27 -35.32 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 72' ' ' ALA . 35.5 t -54.51 129.99 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.21 130.2 20.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.167 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 49.8 mtt -106.31 143.45 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 93.6 t -136.57 119.45 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.372 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 44' ' ' VAL . 19.8 mm -70.37 108.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.2 mm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.872 HD23 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.92 -61.14 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -42.74 67.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -57.19 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 58' ' ' PRO . 32.9 t -57.99 -39.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -53.33 -56.81 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -59.78 -33.18 71.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.5 tp -59.16 -70.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' O ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m-85 -49.29 -38.53 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -68.14 -42.05 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.8 mm-40 -59.31 -46.71 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -56.52 -55.31 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.9 t80 -46.02 -52.99 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.77 -58.2 12.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.363 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.72 78.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -71.58 -8.13 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.56 65.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.08 -172.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -124.13 19.78 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 151.63 59.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.0 16.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.97 141.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.36 145.63 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 71.2 t -93.55 120.29 66.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -74.98 61.88 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 78.4 m-85 -45.56 -40.52 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -50.56 -53.04 33.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' ASP . 81.6 mt -62.63 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.2 mt -39.05 -44.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -50.36 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.6 t0 -75.19 -31.23 60.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.1 t -119.74 98.32 49.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 110.071 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -15.81 20.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -104.63 50.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.95 -53.44 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.502 HG22 HD13 ' A' ' 80' ' ' ILE . 54.2 t -138.85 143.44 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -104.48 132.62 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.957 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 57.0 t -119.44 123.01 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -143.21 174.11 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -27.08 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 54' ' ' PRO . 13.2 mt -43.26 164.86 0.12 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.489 0.759 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.692 ' HG2' HD12 ' A' ' 53' ' ' ILE . 17.9 Cg_endo -75.1 144.35 29.82 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.96 145.79 44.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 70.44 31.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.852 HD13 ' HG3' ' A' ' 65' ' ' ARG . 47.0 mt -152.18 118.31 3.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.421 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.957 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 5.4 t80 -128.71 101.15 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -143.77 177.51 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.9 t30 -39.76 131.01 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.685 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -13.66 21.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.426 ' O ' ' HB ' ' A' ' 60' ' ' THR . 4.2 t-20 -91.17 72.08 6.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER 175.41 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.685 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.3 m-85 -48.03 170.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.7 m-20 -110.97 166.5 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -40.29 -38.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -61.39 -73.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.852 ' HG3' HD13 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -44.49 -53.49 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.352 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.549 ' HB3' HD22 ' A' ' 8' ' ' LEU . 43.0 mt -53.25 -51.5 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.42 -55.12 37.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.0 mmtm -52.69 -61.53 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mt -43.99 -60.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.872 HD12 HD23 ' A' ' 8' ' ' LEU . 5.7 mt -46.65 -33.65 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -72.27 -39.59 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -94.11 16.38 14.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' ILE . 38.3 ptt180 -53.84 -37.41 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.04 -40.75 62.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 110.334 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -67.21 -44.49 79.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 72' ' ' ALA . 72.6 t -44.29 127.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.0 tpp180 -145.62 135.4 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 16' ' ' PHE . 55.1 mtt -108.68 144.3 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.64 118.57 22.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.502 HD13 HG22 ' A' ' 44' ' ' VAL . 46.6 mm -67.41 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD11 ' HB2' ' A' ' 45' ' ' GLU . 14.4 mm . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.694 HD22 HD12 ' A' ' 70' ' ' LEU . 37.6 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.572 ' HD3' HD11 ' A' ' 66' ' ' LEU . 6.1 tpp180 -50.11 -60.21 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -38.6 71.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.18 -58.83 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -53.61 -40.86 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 11.9 mtmt -53.78 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 17.1 mt-10 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 73' ' ' ARG . 5.9 tp -55.19 -71.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' O ' ' HE3' ' A' ' 78' ' ' MET . 10.2 m-85 -46.83 -41.88 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.54 HD21 HD23 ' A' ' 31' ' ' LEU . 3.3 m-20 -64.46 -44.76 90.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.3 mm-40 -55.39 -45.44 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -57.17 -57.61 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.703 ' HE1' HG21 ' A' ' 44' ' ' VAL . 1.4 t80 -44.8 -55.02 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.5 -54.31 8.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.0 -48.82 80.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.763 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.19 -33.99 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.4 -7.07 44.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.14 15.32 80.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mt -96.66 -179.15 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -120.92 24.18 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.94 149.58 53.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.05 146.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.54 HD23 HD21 ' A' ' 17' ' ' ASN . 6.2 mt -60.22 155.65 17.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 80.8 t -108.66 116.16 56.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.485 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CD2' ' OD1' ' A' ' 57' ' ' ASN . 77.5 m-85 -56.09 -35.83 67.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.93 68.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.44 -46.79 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.6 mt -62.69 -21.45 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' TYR . 13.7 tpt85 -72.36 -53.78 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.43 -26.59 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -116.67 92.11 36.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -11.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.24 49.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.43 -54.18 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.703 HG21 ' HE1' ' A' ' 20' ' ' TYR . 55.4 t -138.45 145.68 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -105.41 133.18 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.973 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 58.2 t -120.32 122.29 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -140.97 175.64 9.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.37 -29.85 6.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.0 mt -44.18 163.4 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.799 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.95 165.53 31.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.09 143.63 37.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 70.92 34.17 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.545 HD12 ' HG2' ' A' ' 50' ' ' PRO . 5.7 mt -152.5 117.76 2.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.973 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.2 t80 -134.29 92.7 2.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -137.93 178.44 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' OD1' ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -50.48 128.75 25.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.545 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 58.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.19 8.59 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -37.07 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.3 m-85 -42.54 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ILE . 17.4 m-20 -112.5 164.92 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.42 -34.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -67.9 -72.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.557 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 69' ' ' ILE . 12.9 mtt85 -47.08 -46.97 23.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.572 HD11 ' HD3' ' A' ' 9' ' ' ARG . 14.7 mt -52.6 -41.16 63.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.47 -54.34 7.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -45.11 -53.08 8.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 65' ' ' ARG . 7.4 mt -54.64 -40.25 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 8' ' ' LEU . 77.1 mt -69.04 -37.42 78.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -11.38 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -124.52 21.33 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' HD13 ' A' ' 15' ' ' LEU . 26.3 ptt-85 -60.11 -29.31 68.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -25.04 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.58 -47.63 12.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 72' ' ' ALA . 62.5 t -43.45 132.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -146.87 139.03 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.501 ' HE1' HG21 ' A' ' 32' ' ' VAL . 57.8 mtt -110.21 146.37 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 98.7 t -138.92 116.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 44' ' ' VAL . 47.5 mm -66.39 103.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mm . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -41.44 -52.97 3.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -44.64 89.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HB2' HD11 ' A' ' 70' ' ' LEU . 13.4 mt-30 -54.15 -42.5 69.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 79.1 t -69.93 -38.63 76.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 12.8 mttt -52.47 -60.84 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.09 -36.56 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.6 tp -55.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 16.9 m-85 -47.93 -40.89 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.479 HD21 HD23 ' A' ' 31' ' ' LEU . 3.1 m-20 -65.46 -42.94 91.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.6 -47.52 84.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -58.94 -50.41 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CG ' HG22 ' A' ' 32' ' ' VAL . 2.5 t80 -49.45 -49.59 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.17 -58.44 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -53.6 -50.97 64.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.17 69.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 20' ' ' TYR . 11.2 mt -69.18 -10.8 59.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.34 17.65 70.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.97 -169.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.67 18.47 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.95 151.97 69.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 130.27 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 77.7 t -122.23 141.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.4 mt -56.86 158.69 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.621 HG22 ' CG ' ' A' ' 20' ' ' TYR . 75.4 t -113.42 116.85 45.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.17 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.15 -37.75 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -37.3 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.57 -58.33 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.586 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.1 mt -52.48 -21.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -72.99 -66.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.67 -22.23 66.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -120.24 93.61 48.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -18.51 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.412 1.743 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.13 53.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.23 -49.95 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 80' ' ' ILE . 39.8 t -143.61 143.57 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -102.68 133.65 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.872 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 62.0 t -118.89 126.6 75.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.8 p -140.91 172.66 12.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 88.77 -24.8 11.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.3 mt -43.04 164.37 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.622 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.98 172.98 15.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -85.59 140.8 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.45 29.6 4.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' HG2' ' A' ' 50' ' ' PRO . 66.8 mt -143.23 117.79 6.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.872 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 32.0 t80 -130.24 91.53 3.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASN . 5.2 mtt180 -140.55 171.87 13.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.9 OUTLIER -39.06 137.5 0.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.663 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.93 1.23 7.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 59' ' ' ASN . 24.7 p30 -97.05 57.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -170.43 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.3 m-85 -44.8 167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.79 167.54 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -36.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 67' ' ' GLU . 26.6 m80 -67.42 -72.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 69' ' ' ILE . 24.5 mtm180 -46.62 -46.62 19.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 70' ' ' LEU . 15.9 mt -53.93 -23.88 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.2 mm-40 -94.29 -45.4 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 9.8 mptt -47.82 -66.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.515 HG22 ' CD2' ' A' ' 15' ' ' LEU . 3.4 mt -44.07 -61.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 66' ' ' LEU . 16.1 mt -48.57 -30.63 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -72.95 -37.24 67.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -98.64 14.98 26.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ILE . 41.4 ptt180 -51.11 -27.71 8.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.91 -45.07 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -67.99 -38.33 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 72' ' ' ALA . 24.7 t -44.72 129.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -146.95 136.55 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 53.2 mtt -111.0 143.75 41.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 95.7 t -135.89 119.35 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 44' ' ' VAL . 21.6 mm -70.58 108.46 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.409 HD22 HD12 ' A' ' 70' ' ' LEU . 21.1 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.81 -54.17 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -40.3 -39.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 58' ' ' PRO . 44.1 t -71.42 -53.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 4.8 mtpm? -44.05 -44.37 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.5 mt-10 -69.68 -35.03 74.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 73' ' ' ARG . 2.3 tp -58.64 -67.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 17.0 m-85 -48.87 -39.46 25.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 6.3 m-20 -68.65 -42.5 77.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.9 mm-40 -59.41 -47.06 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -57.92 -53.02 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.4 t80 -47.71 -50.57 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.47 -55.98 22.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.0 -43.88 86.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.4 84.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.8 mt -70.07 -8.07 46.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.87 15.83 76.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.61 -179.73 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -119.0 20.74 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.39 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.26 151.45 64.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.02 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 78.7 t -128.65 140.3 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -55.35 162.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 53.8 t -109.89 120.29 45.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 61.96 5.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 65.0 m-85 -45.44 -48.52 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -44.97 -48.59 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.25 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.439 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.2 mt -44.05 -28.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tpm_? -67.15 -66.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.28 -22.32 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -121.92 94.38 48.22 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.31 20.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -107.04 53.72 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.15 -52.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 80' ' ' ILE . 37.9 t -139.6 140.21 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.12 133.4 44.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.785 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 63.7 t -119.35 127.5 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 p -145.71 170.56 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.42 -22.41 30.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 11.9 mt -43.92 165.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.686 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.93 145.04 31.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.9 141.4 57.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 70.39 33.79 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.686 HD12 ' HG2' ' A' ' 50' ' ' PRO . 39.5 mt -150.82 118.21 3.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.785 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 20.5 t80 -125.16 97.51 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.8 mtt180 -141.5 171.9 13.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.2 t30 -39.02 139.34 0.76 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.683 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.92 -11.63 21.65 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -91.69 71.3 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.05 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.683 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.2 m-85 -51.55 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ILE . 56.5 m-20 -129.63 172.3 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -40.17 -68.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.669 ' N ' HG22 ' A' ' 63' ' ' ILE . 2.4 m-70 -37.88 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.525 ' HD3' HD13 ' A' ' 53' ' ' ILE . 3.2 mmt85 -41.32 -59.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 66' ' ' LEU . 49.8 mt -47.91 -37.65 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.3 mm-40 -75.87 -49.29 18.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -55.36 -57.43 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 15' ' ' LEU . 19.6 mt -51.88 -44.87 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 8' ' ' LEU . 42.5 mt -65.46 -34.64 78.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' GLU . 12.5 mttt -72.22 -20.8 61.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -112.99 21.33 15.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HB2' HD13 ' A' ' 15' ' ' LEU . 28.9 ptt180 -58.93 -37.25 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.09 -25.64 55.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -82.54 -42.71 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 72' ' ' ALA . 75.9 t -47.6 127.09 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.7 tpt180 -141.03 137.18 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.1 mtt -112.03 140.59 46.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.0 t -133.04 120.71 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.568 HD13 HG22 ' A' ' 44' ' ' VAL . 14.4 mm -70.48 103.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -138.66 163.2 32.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 0.717 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.27 146.25 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.78 -121.88 1.65 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.76 100.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.949 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 98.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.76 -48.62 0.62 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -43.93 -50.58 8.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.606 0.827 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.19 -58.99 1.94 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.81 -42.73 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.52 -47.27 73.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG22 ' HG ' ' A' ' 70' ' ' LEU . 94.0 t -65.12 -38.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 21.5 mttt -55.33 -57.41 11.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -59.55 -32.32 70.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 73' ' ' ARG . 4.2 tp -58.85 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -51.37 -37.81 50.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.46 HD21 HD23 ' A' ' 31' ' ' LEU . 3.5 m-20 -68.95 -39.6 79.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.8 mm-40 -62.25 -47.06 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -57.05 -52.31 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.551 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 1.9 t80 -47.79 -50.32 26.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.48 -56.62 16.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.22 -40.23 77.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.466 0.744 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.46 91.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.35 -8.35 49.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 11.96 82.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.05 -178.78 5.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.92 22.36 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -141.66 153.15 64.69 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 136.46 20.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 61.3 t -130.12 140.36 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -55.99 158.34 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 53.9 t -106.22 119.02 53.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.551 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 61.28 5.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 82.9 m-85 -45.56 -41.06 9.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -48.58 62.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.7 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.616 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.4 mt -42.3 -38.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.509 1.13 . . . . 0.0 109.388 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -56.92 -60.93 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.64 -33.18 75.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.1 t -117.4 89.85 32.91 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.12 17.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.81 30.0 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.22 -53.17 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG22 HD13 ' A' ' 80' ' ' ILE . 33.8 t -136.22 140.92 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -100.25 133.68 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.774 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 53.6 t -120.48 127.47 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.9 p -145.97 171.25 15.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.07 -24.84 22.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -47.11 163.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.776 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -74.97 150.11 37.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.563 1.823 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.1 150.64 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.18 33.97 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.776 HD12 ' HG2' ' A' ' 50' ' ' PRO . 49.1 mt -150.98 118.43 3.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.5 Cg_endo -74.98 -162.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.439 1.757 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.774 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.7 t80 -129.19 92.3 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.528 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 1.8 mtm-85 -141.08 175.27 9.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' THR . 2.6 t-20 -39.33 136.31 1.07 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -8.13 19.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.45 1.763 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -91.87 67.99 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.78 -36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 110.457 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.3 m-85 -49.86 177.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.32 170.58 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -43.87 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.207 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -60.25 -72.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.604 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.4 mtm180 -45.44 -51.44 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 24.0 mt -49.11 -42.61 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.6 mm-40 -75.56 -48.59 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -49.12 -53.82 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mt -53.05 -50.99 42.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.541 ' HG ' HG22 ' A' ' 12' ' ' VAL . 13.1 mt -61.5 -32.01 72.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 67' ' ' GLU . 8.1 mttt -74.56 -7.39 52.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -126.9 21.61 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.474 ' HB2' HD13 ' A' ' 15' ' ' LEU . 32.7 ptt180 -60.74 -33.62 73.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.216 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.84 -16.83 46.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.279 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -93.22 -38.13 11.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 72' ' ' ALA . 38.3 t -52.85 130.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.5 tpp85 -144.16 135.3 25.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.429 ' HG2' HG22 ' A' ' 46' ' ' VAL . 54.4 mtt -110.0 142.8 40.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 84.9 t -134.69 120.96 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.377 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.575 HD13 HG22 ' A' ' 44' ' ' VAL . 14.7 mm -70.3 107.19 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -76.04 -55.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.49 102.54 3.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -169.57 -60.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 110.226 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m 61.69 126.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.175 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.56 155.74 17.05 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.1 m -121.26 162.08 20.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.8 m 47.09 85.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -138.79 137.8 37.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 -62.21 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.587 1.18 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.71 -86.7 0.43 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.95 87.07 2.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.392 0.701 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.26 103.62 16.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.958 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.73 -51.03 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.8 mt -41.3 -51.8 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 0.837 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -44.02 -50.89 8.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.46 -35.53 79.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -67.54 -42.42 82.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG22 ' HG ' ' A' ' 70' ' ' LEU . 75.4 t -65.81 -37.62 80.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.175 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 18.8 mtmt -54.68 -56.79 15.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.6 mm-40 -60.01 -33.06 71.47 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.587 1.179 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 73' ' ' ARG . 4.2 tp -57.9 -66.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.418 ' O ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m-85 -52.51 -38.09 58.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.466 HD21 HD23 ' A' ' 31' ' ' LEU . 3.6 m-20 -68.66 -37.29 79.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.1 mm-40 -64.27 -45.38 88.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' HG3' HG12 ' A' ' 76' ' ' VAL . 50.8 mmtt -59.23 -53.38 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.516 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.0 t80 -47.43 -50.86 21.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.89 -55.36 23.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.75 -40.91 85.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.4 84.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -71.64 -7.07 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.31 19.08 75.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mt -95.94 -173.15 2.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -125.04 22.02 8.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.469 1.106 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -143.56 152.43 56.54 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.13 17.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 110.939 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 66.3 t -126.37 140.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -56.4 156.92 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 45.7 t -105.96 118.99 53.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 62.24 5.84 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.552 1.817 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.6 m-85 -46.78 -42.97 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.47 -45.56 36.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -66.76 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.516 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.9 mt -40.5 -37.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -53.07 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -36.93 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.9 t -111.51 97.8 37.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.942 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.65 19.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -101.95 46.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.57 -54.32 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.55 HG22 HD13 ' A' ' 80' ' ' ILE . 39.5 t -139.08 141.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -100.63 133.25 45.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.911 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 65.2 t -119.13 123.37 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 p -141.43 172.15 13.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.51 -24.91 17.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.138 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -44.69 163.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.768 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 153.63 41.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.73 143.17 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t0 70.14 34.91 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.768 HD12 ' HG2' ' A' ' 50' ' ' PRO . 49.2 mt -151.88 119.0 3.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 -163.01 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.911 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 17.2 t80 -127.9 93.35 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.3 mtt180 -141.34 173.23 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 60' ' ' THR . 1.8 t-20 -39.6 137.33 1.09 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.677 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -7.11 18.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -92.82 68.06 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER 179.16 -36.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.677 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.8 m-85 -47.5 174.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -111.06 162.25 15.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.68 -34.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -68.94 -72.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 69' ' ' ILE . 51.8 mtt180 -44.26 -47.08 9.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.0 mt -52.7 -45.54 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.71 -53.0 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.0 110.216 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -46.79 -58.57 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.361 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' ' 65' ' ' ARG . 11.3 mt -48.87 -52.79 8.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.554 ' HG ' HG22 ' A' ' 12' ' ' VAL . 12.2 mt -58.97 -29.47 67.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.93 -23.32 59.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -113.34 26.51 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.9 ptt180 -62.34 -33.83 75.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -78.25 -32.18 49.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -75.52 -42.75 51.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.081 . . . . 0.0 109.588 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 72' ' ' ALA . 22.8 t -44.67 131.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.13 132.15 18.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.418 ' HE1' ' O ' ' A' ' 16' ' ' PHE . 54.4 mtt -107.24 143.19 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.399 1.062 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.6 t -135.98 117.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.55 HD13 HG22 ' A' ' 44' ' ' VAL . 16.4 mm -68.34 100.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.83 -60.07 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.27 109.8 7.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -42.16 135.18 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.7 -59.27 2.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.45 1.094 . . . . 0.0 110.063 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.99 122.48 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.2 p -168.05 115.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.968 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.6 p -179.09 124.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -60.34 148.78 35.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.966 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -107.84 118.76 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.63 157.52 9.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m 64.09 146.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 0.726 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 98.67 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.76 -49.72 6.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.873 ' CD2' HD12 ' A' ' 70' ' ' LEU . 7.7 mt -40.82 -45.53 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -53.06 -66.04 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 3.5 mt-10 -48.36 -42.32 31.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -54.13 -53.64 50.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.314 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 58' ' ' PRO . 33.4 t -65.59 -36.0 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' CE ' ' HG2' ' A' ' 10' ' ' GLU . 46.8 mtmt -54.0 -58.17 8.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mt-10 -58.95 -33.24 70.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.2 tp -58.19 -67.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.2 m-85 -51.31 -42.85 61.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m-20 -63.9 -41.97 97.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.3 mm-40 -59.39 -49.91 76.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtm -53.47 -53.57 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.3 -51.62 14.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.79 -56.04 17.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.82 -45.93 81.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.4 73.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -75.32 -4.98 42.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.98 79.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mt -97.31 -176.15 3.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 0.704 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -122.32 24.0 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -146.9 154.56 47.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 139.85 24.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 71.3 t -132.33 142.53 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.98 146.93 48.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 76.3 t -95.58 119.38 65.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.478 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.6 Cg_endo -75.02 61.4 5.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 87.3 m-85 -46.65 -41.41 14.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.61 -34.64 26.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 33' ' ' PRO . 86.2 mt -82.22 -64.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.673 HG21 ' HE2' ' A' ' 55' ' ' PHE . 8.0 mt -43.95 -30.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.609 1.193 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -52.27 63.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -77.17 -32.96 56.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -112.42 95.93 33.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.039 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -13.33 21.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.505 1.792 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -107.02 48.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.01 -53.89 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG22 HD13 ' A' ' 80' ' ' ILE . 44.6 t -138.77 140.2 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' MET . 4.8 tt0 -100.15 129.1 46.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.924 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 52.1 t -117.28 127.03 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.8 p -145.72 174.26 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.02 -28.29 8.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.639 1.212 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.0 mt -43.07 163.6 0.15 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.719 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 145.4 31.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.53 146.88 43.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t0 70.54 29.95 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.719 HD12 ' HG2' ' A' ' 50' ' ' PRO . 47.5 mt -150.76 118.33 3.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.447 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.924 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 4.2 t80 -128.11 98.11 5.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.82 179.24 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 60' ' ' THR . 3.3 t-20 -39.69 129.27 1.47 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.6 Cg_endo -74.87 -11.76 21.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.17 68.17 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.95 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.356 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -45.62 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' C ' ' N ' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -101.1 158.04 16.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -40.5 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 62' ' ' ASP . 59.2 m170 -67.15 -72.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.724 ' O ' HD12 ' A' ' 69' ' ' ILE . 4.3 mtt180 -46.48 -45.27 18.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.2 mt -55.1 -41.38 71.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -69.44 -47.74 63.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -57.4 -49.3 76.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.5 mt -56.44 -50.31 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.873 HD12 ' CD2' ' A' ' 8' ' ' LEU . 8.9 mt -56.69 -45.65 81.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.84 -27.18 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.912 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -103.01 23.73 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.3 ptt180 -67.83 -38.62 83.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -17.26 58.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -92.64 -38.95 11.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.589 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 72' ' ' ALA . 37.4 t -49.95 131.05 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.51 133.0 20.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.436 ' HG2' HG22 ' A' ' 46' ' ' VAL . 57.7 mtt -108.24 143.9 36.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.075 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.0 t -136.73 118.2 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.501 HD13 HG22 ' A' ' 44' ' ' VAL . 20.3 mm -67.96 101.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 23.0 mm -72.34 -48.28 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -142.85 140.59 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -127.89 152.88 47.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -165.67 107.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.66 110.6 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 84.68 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.79 169.02 14.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.028 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -147.56 -60.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.27 91.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -134.25 140.66 46.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.61 -131.52 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -49.57 125.34 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -168.87 -62.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.14 -64.64 0.73 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.579 1.174 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.588 HD22 ' CD1' ' A' ' 70' ' ' LEU . 60.5 mt -48.58 -42.17 32.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -55.01 -52.55 62.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 -24.56 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.05 -34.23 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 58' ' ' PRO . 50.6 t -76.21 -42.21 37.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -53.77 45.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -62.39 -32.2 72.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 73' ' ' ARG . 3.7 tp -60.38 -69.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.9 m-85 -50.88 -36.01 35.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.0 m-20 -70.94 -40.92 71.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -61.4 -47.9 83.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -56.75 -52.4 65.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 2.3 t80 -47.29 -49.84 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.21 -57.97 14.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -56.4 -40.03 73.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.753 . . . . 0.0 110.358 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.0 89.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.1 mt -70.53 -9.47 56.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.192 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.18 12.39 80.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.41 -174.02 3.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.96 21.26 9.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -140.12 151.39 64.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.05 13.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 72.1 t -125.08 141.18 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.9 mt -57.84 161.43 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.6 t -109.34 120.38 45.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.0 62.45 5.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CD2' ' ND2' ' A' ' 57' ' ' ASN . 65.8 m-85 -44.36 -48.77 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -44.84 -46.41 10.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 33' ' ' PRO . 86.1 mt -67.84 -67.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.548 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.6 mt -41.85 -31.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -57.78 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.42 -28.15 62.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.8 t -116.68 96.32 48.15 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.42 18.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -104.6 53.33 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.56 -53.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.628 HG22 HD13 ' A' ' 80' ' ' ILE . 30.9 t -138.73 139.86 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -100.15 133.73 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.833 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.3 t -119.59 126.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.2 p -143.16 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.6 -24.99 12.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 13.5 mt -44.56 164.26 0.17 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.67 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.07 149.61 36.66 Favored 'Trans proline' 0 C--N 1.362 1.257 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.95 143.87 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.29 30.99 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.67 HD12 ' HG2' ' A' ' 50' ' ' PRO . 44.4 mt -149.15 118.44 3.94 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.538 1.809 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.833 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 2.9 t80 -129.69 94.25 3.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 2.2 mtm180 -140.86 177.33 8.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' ND2' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -39.7 135.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.679 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 -8.93 20.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -92.02 71.24 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.32 -35.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.462 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.679 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.7 m-85 -51.7 172.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -113.59 168.71 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -39.16 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -62.95 -72.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.6 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.9 mtt85 -46.3 -47.26 18.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 66' ' ' LEU . 50.9 mt -55.5 -44.38 76.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.84 -53.16 16.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -49.11 -57.49 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 26.6 mt -53.6 -39.34 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' CD1' HD22 ' A' ' 8' ' ' LEU . 28.9 mt -68.26 -34.59 76.48 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -21.27 63.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.9 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -116.88 25.79 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' LEU . 35.1 ptt180 -62.14 -34.12 75.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.26 -26.96 42.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -80.23 -41.35 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 72' ' ' ALA . 78.0 t -46.76 127.18 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -139.71 137.95 35.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.5 mtt -112.93 140.69 47.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 89.7 t -133.04 120.3 40.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 44' ' ' VAL . 15.5 mm -69.84 107.91 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.5 mm -77.0 -57.4 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLN . 0.5 OUTLIER -137.77 95.87 3.13 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ASN . 4.4 tt0 -39.25 134.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.246 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.0 p -179.87 107.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 132.38 112.25 1.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.46 6.07 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.572 1.827 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.56 157.25 45.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.058 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 178.6 101.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 106.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.907 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -52.29 114.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.27 -94.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.3 125.75 17.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.954 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 95.8 p -88.75 96.67 10.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -76.87 -53.53 5.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.821 HD23 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -39.0 -49.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -48.19 -54.39 13.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.05 -42.05 76.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' HD11 ' A' ' 70' ' ' LEU . 21.0 mt-30 -53.08 -49.23 66.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.365 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 77.7 t -66.84 -40.97 87.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -51.56 -55.17 20.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.6 mm-40 -61.0 -35.4 76.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.55 -67.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -51.31 -41.43 60.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m-20 -65.36 -38.78 91.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mm-40 -62.3 -45.46 93.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HG3' HG12 ' A' ' 76' ' ' VAL . 72.2 mmtt -61.76 -54.66 39.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.611 1.195 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 t80 -44.93 -51.87 9.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.98 -58.7 8.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.69 -46.36 74.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.03 73.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD11 ' CE2' ' A' ' 20' ' ' TYR . 15.0 mt -73.51 -8.74 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.8 24.31 62.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.14 -172.51 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 0.783 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.28 18.25 9.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.76 156.15 69.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 131.91 14.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 60.5 t -125.06 140.6 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -58.91 152.58 19.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.8 t -102.43 122.46 46.36 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.97 67.12 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 92.0 m-85 -52.95 -46.72 68.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -39.6 9.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.4 1.063 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.6 mt -76.42 -68.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.635 HG21 ' HE2' ' A' ' 55' ' ' PHE . 4.4 mt -40.06 -40.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -54.77 -51.68 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.22 -32.7 56.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.52 95.62 32.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.049 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -8.01 19.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -113.73 50.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.99 -53.02 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 80' ' ' ILE . 38.7 t -139.18 139.42 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.6 45.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.914 HG21 ' CE1' ' A' ' 55' ' ' PHE . 51.5 t -121.55 129.57 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.1 p -144.08 172.69 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.13 -26.39 13.42 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.9 mt -45.12 163.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.331 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.754 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 146.04 32.2 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.87 146.49 46.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.26 29.95 3.52 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.754 HD12 ' HG2' ' A' ' 50' ' ' PRO . 54.2 mt -150.43 118.73 3.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.477 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.6 Cg_endo -74.98 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.914 ' CE1' HG21 ' A' ' 46' ' ' VAL . 6.5 t80 -126.65 93.6 3.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.9 mtt180 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.482 ' O ' HG22 ' A' ' 60' ' ' THR . 0.5 OUTLIER -39.02 139.97 0.72 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.251 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.684 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -6.57 18.24 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -93.11 67.85 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.85 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.405 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.2 m-85 -49.39 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 111.077 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.67 162.06 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.45 -36.99 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -73.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.619 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' O ' HD12 ' A' ' 69' ' ' ILE . 65.5 mtt85 -43.59 -48.92 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' A' ' 8' ' ' LEU . 19.8 mt -49.99 -48.01 52.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.01 -54.4 30.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -46.19 -57.05 4.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 65' ' ' ARG . 6.0 mt -49.21 -56.9 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.821 HD12 HD23 ' A' ' 8' ' ' LEU . 8.2 mt -54.87 -36.14 64.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -69.32 -24.93 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -109.68 29.69 7.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -70.69 -31.68 68.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.26 23.9 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -135.43 -45.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 72' ' ' ALA . 27.8 t -40.53 130.69 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 78' ' ' MET . 9.2 tpt180 -138.25 137.32 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.549 ' HG2' HG22 ' A' ' 46' ' ' VAL . 53.5 mtt -113.65 142.0 46.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.4 t -135.43 119.48 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 44' ' ' VAL . 17.5 mm -69.29 105.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.0 mm -77.11 -60.48 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -145.99 93.86 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -65.79 134.32 52.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -160.84 90.93 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.18 120.44 1.86 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.549 1.156 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 167.78 26.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.427 1.751 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 m -72.53 136.45 45.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.09 152.46 22.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -117.02 110.74 18.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.23 155.32 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.59 -102.23 2.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 47.35 93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -100.55 108.84 20.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.46 -52.07 0.09 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.5 mt -41.87 -47.51 4.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -47.11 -52.3 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.12 -44.64 92.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -60.02 -30.98 69.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 8' ' ' LEU . 99.6 t -77.04 -37.46 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -54.56 -58.73 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -58.35 -32.79 68.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' CD2' HG22 ' A' ' 69' ' ' ILE . 4.7 tp -59.15 -69.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 11.4 m-85 -50.82 -37.5 43.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.098 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.425 HD21 HD23 ' A' ' 31' ' ' LEU . 3.8 m-20 -68.89 -40.88 78.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.3 mm-40 -60.59 -47.17 87.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -57.67 -55.57 33.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.178 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.733 ' HE1' HG21 ' A' ' 44' ' ' VAL . 1.9 t80 -45.77 -50.65 13.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.9 -58.59 11.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.64 -42.05 74.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.74 -38.13 84.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.58 -8.33 53.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.02 20.76 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.52 1.138 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -94.7 -174.53 3.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -122.74 21.59 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -144.98 154.14 54.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 137.26 21.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 61.8 t -127.96 140.43 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 17' ' ' ASN . 8.2 mt -58.91 149.85 25.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.199 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 55.9 t -100.17 116.85 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.5 Cg_endo -75.01 62.23 5.83 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 89.9 m-85 -45.4 -37.54 5.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -53.55 -44.74 69.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.6 mt -72.51 -65.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.544 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.0 mt -40.81 -35.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -54.33 42.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.234 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.65 -25.37 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 t -123.57 95.31 45.14 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.3 21.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.789 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.66 50.02 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.87 -51.59 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.733 HG21 ' HE1' ' A' ' 20' ' ' TYR . 75.5 t -135.66 142.52 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.762 ' HB2' HD11 ' A' ' 81' ' ' ILE . 5.8 tt0 -103.2 126.68 50.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 55' ' ' PHE . 56.2 t -115.2 124.63 71.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 p -144.97 172.76 12.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.45 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.75 -25.84 10.72 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.59 1.181 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.19 163.81 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.435 0.727 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.787 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 146.71 32.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.416 1.745 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 142.76 57.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.23 35.58 2.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.787 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -152.59 118.72 3.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.469 1.773 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.768 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -129.3 91.42 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASN . 51.2 mmt-85 -138.92 173.26 11.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.3 t30 -39.29 136.61 1.05 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -1.14 10.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -97.95 69.71 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.51 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.47 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.674 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-85 -50.64 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . 37.4 t70 -124.28 170.01 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.0 OUTLIER -39.72 -66.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.599 ' N ' HG22 ' A' ' 63' ' ' ILE . 48.9 m-70 -39.09 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -44.83 -59.99 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' O ' HD12 ' A' ' 70' ' ' LEU . 32.1 mt -44.45 -36.96 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.2 mm-40 -78.53 -53.93 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.8 mttm -47.97 -62.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 21.1 mt -46.44 -53.81 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 66' ' ' LEU . 10.1 mt -59.3 -28.33 66.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -74.42 -33.66 63.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -100.11 10.38 41.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -43.19 -39.07 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.6 -46.85 58.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -61.65 -44.59 96.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 72' ' ' ALA . 70.5 t -45.35 129.36 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' MET . 7.8 tpt180 -145.5 136.92 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -110.9 144.44 39.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.49 118.97 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.85 HG22 ' O ' ' A' ' 82' ' ' ASN . 47.7 mm -67.45 92.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.762 HD11 ' HB2' ' A' ' 45' ' ' GLU . 17.2 mm -48.4 -63.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.85 ' O ' HG22 ' A' ' 80' ' ' ILE . 1.6 t-20 -89.98 -153.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.472 ' HB2' ' CG2' ' A' ' 80' ' ' ILE . 0.2 OUTLIER 69.39 148.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.6 p -114.53 -50.99 2.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.052 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.87 152.18 21.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.6 38.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.3 t -153.3 157.8 40.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t 63.75 157.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.35 131.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -76.41 91.0 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.81 -136.94 3.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -91.45 131.76 36.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 109.949 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.59 84.49 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.81 7.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 70' ' ' LEU . 29.4 mt -40.99 -48.29 3.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -45.95 -56.8 5.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.26 67.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG21 HD22 ' A' ' 66' ' ' LEU . 40.7 t -86.84 -44.01 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -50.96 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.8 OUTLIER -64.47 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 69' ' ' ILE . 1.4 tp -57.82 -65.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.1 m-85 -52.96 -39.52 63.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.461 HD21 HD23 ' A' ' 31' ' ' LEU . 4.3 m-20 -67.55 -39.21 84.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.6 mm-40 -62.1 -47.22 85.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -55.59 -58.99 5.49 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.725 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.9 t80 -44.5 -50.26 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.05 -55.29 15.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.579 1.175 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.32 -40.84 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.47 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.71 -8.0 48.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.65 16.81 76.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.39 -168.16 2.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.225 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.76 21.83 5.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ptt85 -146.95 157.52 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.215 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 143.06 28.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG13 ' HA3' ' A' ' 89' ' ' GLY . 79.1 t -137.54 140.87 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 17' ' ' ASN . 7.8 mt -56.39 158.34 4.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.216 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 64.8 t -109.66 118.92 49.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 66.7 6.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 77.1 m-85 -51.21 -41.72 60.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 111.068 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -45.86 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.06 -64.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.586 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.1 mt -42.09 -32.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -62.3 -56.39 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 -21.67 60.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.5 t -127.52 89.31 51.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -7.61 19.37 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.462 1.769 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.31 31.9 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.23 -50.02 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.227 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.837 HG22 HD13 ' A' ' 80' ' ' ILE . 25.9 t -137.74 140.19 41.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -98.58 128.7 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.586 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.6 t -115.8 127.57 73.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -146.12 171.56 14.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 -27.48 10.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.1 mt -44.34 163.57 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.05 143.79 29.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -59.71 144.75 47.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 4.7 t0 71.21 33.92 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.603 HD12 ' HG2' ' A' ' 50' ' ' PRO . 21.8 mt -155.07 117.26 2.41 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.76 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.586 ' HE2' HG21 ' A' ' 37' ' ' ILE . 8.9 t80 -127.54 98.9 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ASN . 54.3 mmt-85 -139.76 177.17 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' O ' ' CG2' ' A' ' 60' ' ' THR . 15.0 t30 -39.92 130.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.95 -13.75 21.44 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.32 70.33 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.16 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.675 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.7 m-85 -47.53 176.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.04 -43.64 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -58.61 -72.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.471 1.107 . . . . 0.0 109.7 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -47.22 -52.96 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 12' ' ' VAL . 17.3 mt -49.92 -45.87 51.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.0 mm-40 -69.45 -53.16 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -48.43 -51.48 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.0 mt -56.82 -46.98 83.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD1' HD22 ' A' ' 8' ' ' LEU . 18.2 mt -62.54 -37.43 86.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -67.59 -12.51 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.749 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -123.78 14.79 9.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -51.84 -32.06 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 110.254 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.54 -40.79 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -68.53 -40.74 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 72' ' ' ALA . 76.4 t -46.98 127.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.1 tpt180 -145.43 136.62 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.3 mtt -111.58 141.51 45.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.6 116.83 22.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.837 HD13 HG22 ' A' ' 44' ' ' VAL . 8.8 mm -67.55 102.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.02 -50.72 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -139.14 98.91 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.474 ' HG3' HG21 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -54.74 -68.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 t 45.8 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.59 99.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 165.77 30.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.92 168.1 26.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -121.21 169.27 10.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 109.937 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.71 ' HA3' HG13 ' A' ' 30' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -58.47 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -57.68 135.0 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.7 -62.09 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -173.78 95.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -60.18 105.91 0.46 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 -51.56 3.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt -43.06 -52.12 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -38.92 -57.93 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.66 77.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -53.45 -54.53 35.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.653 HG12 ' HB3' ' A' ' 58' ' ' PRO . 79.0 t -53.45 -44.73 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.07 -57.16 11.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.0 mm-40 -59.57 -34.04 72.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.3 tp -57.16 -68.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.6 m-85 -50.32 -42.68 53.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.425 HD21 HD23 ' A' ' 31' ' ' LEU . 3.5 m-20 -64.09 -41.88 97.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -59.7 -46.93 87.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HG3' HG12 ' A' ' 76' ' ' VAL . 13.8 mmtt -57.26 -53.73 54.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.0 t80 -47.31 -51.42 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.08 -57.78 12.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -56.1 -42.23 76.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.87 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.7 mt -72.3 -9.04 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.41 15.66 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mt -93.87 -174.17 3.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.792 . . . . 0.0 109.27 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.86 22.7 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -143.56 151.87 55.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.26 16.42 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.439 1.757 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 71.1 t -126.16 142.22 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 17' ' ' ASN . 8.3 mt -58.95 155.89 12.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 75.8 t -102.79 121.51 49.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.04 59.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 80.3 m-85 -43.63 -42.01 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -49.82 -53.24 26.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.4 -66.57 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.711 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.5 mt -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -54.89 -54.44 42.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.92 -41.04 75.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.4 t -108.98 102.19 47.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -23.11 14.12 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 111.07 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -99.74 53.41 0.93 Allowed 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 124.419 1.074 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.47 -52.87 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.535 HG22 HD13 ' A' ' 80' ' ' ILE . 38.7 t -138.9 140.87 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.382 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.85 133.63 45.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.9 t -119.96 127.69 75.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 4.7 p -145.22 169.43 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.26 -23.64 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -46.26 163.36 0.23 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.4 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.788 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.96 145.75 31.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -60.89 142.49 56.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 70.78 35.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.788 HD12 ' HG2' ' A' ' 50' ' ' PRO . 42.7 mt -152.99 118.0 2.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.422 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.05 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.711 ' HE2' HG21 ' A' ' 37' ' ' ILE . 8.1 t80 -127.6 95.41 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.511 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 2.3 mtt180 -140.72 173.02 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.8 t-20 -38.48 135.02 0.93 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.667 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 -8.85 20.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -92.76 67.84 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.81 -36.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.667 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.2 m-85 -48.87 174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.084 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -111.49 162.97 14.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -41.29 -36.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -73.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.504 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.743 ' O ' HD12 ' A' ' 69' ' ' ILE . 40.3 mtt85 -44.3 -48.05 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.8 mt -53.22 -46.19 69.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.1 mm-40 -68.58 -55.25 12.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -44.69 -50.14 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 65' ' ' ARG . 5.2 mt -57.77 -55.45 21.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HG ' HG22 ' A' ' 12' ' ' VAL . 18.2 mt -55.77 -32.14 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -71.48 -22.93 61.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -113.5 22.06 14.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.69 -29.91 70.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.24 -18.14 37.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -92.4 -40.01 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 72' ' ' ALA . 22.1 t -46.16 130.34 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.78 130.21 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.3 mtt -107.3 142.33 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 96.9 t -135.91 120.72 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 44' ' ' VAL . 14.6 mm -71.25 106.35 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 mm -76.48 -55.83 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -136.18 121.91 19.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.56 155.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.8 p -142.65 -64.34 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 110.057 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 128.81 103.37 1.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 144.98 31.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -140.84 133.37 28.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.1 -58.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 m 67.65 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 110.01 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m 61.09 85.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.61 -133.4 4.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 50.32 95.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.74 . . . . 0.0 110.002 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -70.13 92.26 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.45 -45.71 1.41 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' A' ' 70' ' ' LEU . 17.4 mt -43.01 -53.34 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 0.717 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.72 -64.09 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.46 -50.42 62.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.95 -49.38 40.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.623 HG12 ' HB3' ' A' ' 58' ' ' PRO . 68.3 t -61.27 -45.15 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -50.94 -54.77 21.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.3 mt-10 -61.43 -35.05 76.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' A' ' 73' ' ' ARG . 2.6 tp -57.04 -67.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.6 m-85 -51.94 -38.43 56.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.7 m-20 -68.2 -37.89 81.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.5 mm-40 -63.84 -46.07 86.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -57.76 -53.66 55.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' HE1' HG21 ' A' ' 44' ' ' VAL . 3.2 t80 -46.84 -50.66 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.25 -55.77 17.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.167 . . . . 0.0 111.035 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.44 -41.8 85.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.05 -36.82 85.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.57 -6.79 43.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.34 77.66 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.76 -176.86 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.15 22.44 10.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.509 ' NH1' HG22 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -142.27 153.1 62.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.55 20.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.509 HG22 ' NH1' ' A' ' 28' ' ' ARG . 71.7 t -131.9 141.86 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.11 153.54 11.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.557 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 77.2 t -102.83 118.98 57.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.493 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.02 64.55 6.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.542 1.811 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.0 m-85 -51.31 -42.43 61.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -47.91 -43.15 28.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.98 -65.3 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.4 mt -40.67 -37.84 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -52.2 66.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.98 -35.82 62.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -112.19 98.15 41.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -16.33 20.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 82' ' ' ASN . 11.9 t70 -104.37 49.53 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.42 -52.53 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG21 ' HE1' ' A' ' 20' ' ' TYR . 48.3 t -138.37 141.27 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 78' ' ' MET . 5.2 tt0 -101.45 128.81 47.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.932 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 54.1 t -116.98 123.18 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -142.22 172.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.356 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.95 -25.11 14.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.7 mt -44.85 163.67 0.19 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.732 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 148.43 35.38 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -64.06 144.08 57.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 t70 70.61 30.62 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.732 HD12 ' HG2' ' A' ' 50' ' ' PRO . 42.1 mt -148.63 119.45 4.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 -163.14 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.932 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 6.0 t80 -130.38 97.15 4.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 3.5 mtt180 -141.43 175.3 9.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.3 t-20 -39.62 135.35 1.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 -8.88 20.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' O ' ' HB ' ' A' ' 60' ' ' THR . 11.8 t-20 -93.42 72.84 4.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER 174.27 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.0 m-85 -50.74 -175.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.62 -179.39 4.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -41.77 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -63.58 -73.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.573 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.891 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -43.26 -50.29 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.411 1.069 . . . . 0.0 110.345 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 15.6 mt -54.13 -56.38 18.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.15 -59.73 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.214 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.9 mmtm -41.19 -63.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.891 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.1 mt -45.16 -51.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.484 ' CD1' HD22 ' A' ' 8' ' ' LEU . 15.2 mt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' LYS . 6.5 mttt -70.23 -16.69 63.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -119.2 16.8 13.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.454 ' HB2' HD13 ' A' ' 15' ' ' LEU . 39.6 ptt180 -54.94 -34.34 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -28.52 46.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.222 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -80.92 -40.59 24.33 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 72' ' ' ALA . 37.8 t -49.72 130.78 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -146.02 135.63 23.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 55.6 mtt -109.2 144.4 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.1 t -138.7 117.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.499 HD13 HG22 ' A' ' 44' ' ' VAL . 25.1 mm -66.93 106.27 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.6 mm -78.59 -55.46 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 5.6 t-20 -137.68 92.82 2.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HB3' HG21 ' A' ' 80' ' ' ILE . 12.5 pt20 -63.98 157.51 24.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 t -145.22 -60.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -166.78 127.32 1.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -178.15 3.98 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.449 1.762 . . . . 0.0 110.98 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.489 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -170.56 136.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.066 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -111.71 157.51 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -172.6 161.34 4.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 0.0 110.033 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -167.44 139.29 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.928 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.5 -128.89 1.01 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -54.57 168.28 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.434 0.726 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.55 99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.023 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.51 -54.32 3.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt -40.65 -52.03 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -40.67 -57.36 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.598 1.186 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.07 87.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.422 1.076 . . . . 0.0 110.362 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -48.75 -48.83 40.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 58' ' ' PRO . 75.2 t -61.65 -44.9 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 19.2 mtmt -49.92 -51.52 40.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 18' ' ' GLU . 14.9 mt-10 -63.91 -35.95 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.8 tp -56.15 -68.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.627 1.205 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.3 m-85 -49.35 -34.34 15.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.2 m-20 -72.63 -35.25 67.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.0 mm-40 -66.73 -42.16 86.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HG3' HG12 ' A' ' 76' ' ' VAL . 47.8 mmtt -62.35 -55.49 27.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.537 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.0 t80 -45.9 -52.7 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.42 -57.66 10.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -54.54 -46.96 73.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.96 76.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.26 -6.85 45.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.31 23.98 69.56 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.437 1.085 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -101.73 -175.61 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.7 20.46 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -144.51 155.71 56.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 137.88 22.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.782 . . . . 0.0 111.052 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 52.1 t -129.93 140.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.38 149.85 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 76.2 t -97.13 125.59 45.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.06 58.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 75.0 m-85 -43.11 -44.17 4.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.59 -46.36 39.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.301 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ASP . 83.7 mt -70.85 -67.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.625 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.9 mt -39.4 -40.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -51.45 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -73.03 -43.38 62.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -109.2 100.6 41.6 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -12.84 21.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -105.52 43.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.64 -50.95 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG22 HD13 ' A' ' 80' ' ' ILE . 40.9 t -137.98 142.47 35.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 18.6 tt0 -100.48 126.34 46.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.934 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 50.5 t -115.73 126.69 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.7 p -144.89 172.99 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.32 -26.18 12.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.6 mt -44.93 163.52 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.775 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 155.76 43.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.4 143.9 53.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.35 32.65 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.775 HD12 ' HG2' ' A' ' 50' ' ' PRO . 54.1 mt -150.42 118.96 3.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.92 -164.33 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.934 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 2.8 t80 -127.97 93.64 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASN . 6.5 mtt180 -141.81 175.28 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' A' ' 60' ' ' THR . 4.6 t30 -39.48 138.38 0.96 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.95 -11.24 21.56 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -90.74 70.58 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.66 -35.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.1 m-85 -50.97 177.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.44 162.94 15.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.49 -41.83 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.376 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -73.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.708 ' O ' HD12 ' A' ' 69' ' ' ILE . 51.5 mtt85 -43.11 -50.46 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.5 mt -49.68 -49.74 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.56 -51.81 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.362 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -45.44 -58.79 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mt -49.22 -57.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HG ' HG22 ' A' ' 12' ' ' VAL . 15.6 mt -53.26 -29.65 34.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -73.54 -31.54 63.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -105.07 20.51 18.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -54.32 -34.5 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -75.42 -42.88 52.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -66.0 -43.92 86.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 72' ' ' ALA . 25.4 t -43.31 130.41 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 78' ' ' MET . 4.7 tpp180 -147.58 135.61 21.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.412 ' HG2' HG22 ' A' ' 46' ' ' VAL . 56.7 mtt -111.35 143.3 42.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 87.2 t -136.73 119.09 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.52 HD13 HG22 ' A' ' 44' ' ' VAL . 42.2 mm -67.65 106.88 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.7 mm -79.08 -47.93 22.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -149.42 104.62 3.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.77 161.43 4.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -179.33 113.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.7 137.81 2.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 156.44 43.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.6 p -131.2 136.11 47.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.8 p -167.31 113.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.979 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.9 102.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 67.05 102.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.97 -71.17 0.4 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 t -84.08 -71.02 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p 52.55 94.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.36 -50.76 61.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.6 mt -43.7 -46.12 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -53.47 33.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -35.47 80.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.68 -56.01 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 58' ' ' PRO . 75.8 t -52.44 -42.0 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -51.43 -57.23 9.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.404 1.065 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.32 -37.04 76.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 69' ' ' ILE . 5.4 tp -54.71 -71.07 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.4 m-85 -47.19 -34.97 6.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -70.36 -40.48 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -60.71 -47.14 87.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 76' ' ' VAL . 10.0 mmtt -58.0 -57.98 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.5 t80 -43.09 -54.22 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.87 -59.77 7.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.24 -44.45 68.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.289 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.76 84.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -69.28 -9.83 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.73 19.92 67.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.84 -176.73 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.97 19.4 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.75 152.2 67.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.0 t -126.54 140.41 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.0 mt -60.19 146.97 41.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 57.9 t -93.15 122.2 63.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 56.53 4.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.518 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 86.4 m-85 -42.0 -42.04 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -41.39 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 87.3 mt -76.85 -66.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.638 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.3 mt -40.11 -36.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -54.55 43.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.7 -39.42 73.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.0 t -109.12 100.81 42.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.09 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.12 49.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.46 -53.81 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.504 HG21 ' HE1' ' A' ' 20' ' ' TYR . 49.1 t -138.9 140.45 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' MET . 10.3 tt0 -98.53 127.52 44.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.962 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 55.3 t -117.07 125.38 73.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -145.11 173.19 12.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.46 -26.98 11.42 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.2 mt -44.67 161.57 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.568 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.04 145.5 31.37 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.35 147.33 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 0.7 OUTLIER 70.85 33.37 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.082 . . . . 0.0 109.249 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 50' ' ' PRO . 16.9 mt -156.47 118.91 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.07 -162.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.567 1.825 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.962 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 3.2 t80 -128.32 95.01 4.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 7.1 mtt-85 -141.53 175.24 9.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.5 t30 -39.74 137.3 1.13 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.96 -12.53 21.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.471 1.774 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -88.88 68.39 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.085 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -179.45 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.7 m-85 -49.3 177.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' ILE . 21.4 m-20 -113.55 159.28 19.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.96 -36.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -67.62 -72.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 69' ' ' ILE . 16.1 mtt85 -45.62 -45.15 13.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 110.22 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.1 mt -53.39 -41.77 66.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.078 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -72.25 -52.96 14.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -45.15 -51.75 10.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mt -55.26 -54.36 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.234 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 12' ' ' VAL . 17.3 mt -57.21 -31.49 65.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -72.18 -24.53 61.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.413 1.071 . . . . 0.0 109.375 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -110.97 27.37 9.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -61.74 -31.73 71.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -81.18 -33.83 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -75.11 -41.84 57.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 72' ' ' ALA . 33.2 t -47.81 130.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.6 tpt180 -146.53 136.71 23.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 56.2 mtt -112.32 143.86 42.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.3 t -138.68 118.41 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 44' ' ' VAL . 26.2 mm -67.25 105.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.395 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.6 mm -76.34 -49.93 23.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -144.23 162.59 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -100.16 150.74 22.2 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.02 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.69 164.46 12.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 -68.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.8 m 61.75 97.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.014 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m 60.25 -92.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.075 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -110.06 104.56 13.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.792 . . . . 0.0 110.003 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -106.01 130.62 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.68 -81.7 0.07 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 55.54 91.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 0.776 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 p 179.02 103.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.71 -52.24 16.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD22 HD12 ' A' ' 70' ' ' LEU . 13.4 mt -43.84 -50.62 7.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -43.12 -61.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.89 -42.27 79.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.41 -47.38 72.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.2 t -64.87 -37.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.234 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 16.4 mtmt -56.27 -59.72 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 3.1 mm-40 -57.21 -32.54 66.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD13 ' HB2' ' A' ' 73' ' ' ARG . 3.7 tp -58.6 -65.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -52.66 -41.75 64.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 HD21 HD23 ' A' ' 31' ' ' LEU . 2.3 m-20 -65.52 -43.35 90.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.5 mm-40 -57.52 -45.16 85.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 110.232 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -59.16 -58.44 8.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.577 ' HE1' HG21 ' A' ' 44' ' ' VAL . 2.1 t80 -43.13 -52.05 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.93 -56.32 14.59 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.036 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.16 -46.65 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -34.45 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.37 -6.82 42.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.12 22.61 70.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mt -103.18 -175.84 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -122.72 22.87 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -141.54 150.17 56.61 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 128.49 11.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 72.6 t -122.65 141.41 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.9 mt -57.26 159.73 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.554 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 44.9 t -106.34 118.63 54.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.02 59.31 5.17 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 85.1 m-85 -42.95 -45.99 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -47.23 -43.06 21.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.72 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.8 mt -45.3 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -69.01 -56.96 6.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -72.63 -23.79 60.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -123.53 93.47 47.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.69 21.33 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.479 1.779 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -105.59 46.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.71 -53.81 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.577 HG21 ' HE1' ' A' ' 20' ' ' TYR . 61.0 t -136.28 143.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' MET . 10.6 tt0 -103.3 128.57 50.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 53.4 t -115.86 124.86 72.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -145.6 173.25 12.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.384 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.27 -27.71 9.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.4 mt -43.28 164.55 0.13 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.0 147.04 33.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.68 148.83 41.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 65.92 30.95 9.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.0 mt -149.83 116.93 3.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.3 t80 -126.76 95.23 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 3.4 mtm180 -140.32 168.07 20.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.328 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' CG2' ' A' ' 60' ' ' THR . 7.5 p-10 -39.98 138.98 1.03 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.674 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.514 1.797 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -97.22 52.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -165.69 -40.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.674 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.4 m-85 -45.01 171.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -109.7 176.77 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.396 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -35.5 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -69.34 -72.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.766 ' O ' HD12 ' A' ' 69' ' ' ILE . 10.3 mtm180 -43.66 -47.34 7.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 66' ' ' LEU . 16.5 mt -52.75 -43.19 65.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.57 -47.14 28.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -49.91 -58.81 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.9 mt -48.03 -49.44 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.459 HD12 HD22 ' A' ' 8' ' ' LEU . 20.2 mt -60.03 -35.21 74.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.633 1.208 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -22.39 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -111.5 18.35 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HB2' HD13 ' A' ' 15' ' ' LEU . 37.5 ptt180 -59.6 -31.71 69.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.327 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -82.23 -19.79 38.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -90.98 -41.19 11.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.646 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 72' ' ' ALA . 40.7 t -49.23 130.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.6 OUTLIER -146.68 138.03 24.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 58.1 mtt -109.71 144.58 37.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.46 120.47 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.539 ' CD1' HG22 ' A' ' 44' ' ' VAL . 33.4 mm -67.95 106.75 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.7 mm -79.05 -49.37 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -153.12 93.92 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -62.63 171.07 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.1 t -157.22 -53.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.16 157.48 27.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -64.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.7 109.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -155.16 149.72 26.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.4 -57.22 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.396 0.703 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -147.49 147.42 30.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.095 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.62 109.28 2.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m 53.29 88.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.789 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 m -134.78 87.33 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.95 -48.19 5.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' ARG . 10.5 mt -43.73 -53.67 5.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.5 tpp180 -38.7 -63.3 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.81 -51.09 54.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -48.8 -47.06 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG12 ' HB3' ' A' ' 58' ' ' PRO . 38.5 t -63.42 -43.09 98.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.21 -57.9 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.5 mm-40 -59.19 -33.97 71.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.6 tp -58.05 -67.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 14.2 m-85 -51.74 -40.26 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.7 m-20 -66.62 -40.29 88.72 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 109.376 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 2.9 mm-40 -61.85 -47.28 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HG3' HG12 ' A' ' 76' ' ' VAL . 8.8 mmtm -56.02 -55.39 33.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.1 t80 -46.15 -50.54 15.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.94 -56.9 16.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.02 -40.25 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.1 79.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.369 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.8 mt -72.48 -5.89 39.96 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.22 17.79 79.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -95.08 -172.98 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.92 23.82 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -143.43 151.55 54.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.437 1.756 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 74.6 t -122.6 141.19 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -57.59 156.82 7.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.559 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 56.1 t -105.6 118.78 54.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 71.76 4.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 39.2 m-85 -55.72 -41.45 73.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.97 -46.5 61.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.192 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 38' ' ' ARG . 85.7 mt -70.16 -62.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.525 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.8 mt -43.48 -28.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 10.9 tpp180 -67.77 -58.18 5.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.64 -28.65 66.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 t -119.48 95.29 49.17 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.571 1.169 . . . . 0.0 110.073 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -12.47 21.58 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -107.79 47.25 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.16 -53.99 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.567 HG22 HD13 ' A' ' 80' ' ' ILE . 39.0 t -138.23 141.39 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -101.84 133.83 45.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.938 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 61.7 t -118.77 122.84 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.4 p -139.15 172.54 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 89.5 -25.44 10.99 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.456 1.098 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.9 mt -42.57 163.74 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.435 0.726 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.735 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 152.79 41.09 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.536 1.809 . . . . 0.0 110.948 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 p30 -67.64 142.19 56.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.84 31.84 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.754 HD13 ' HG3' ' A' ' 65' ' ' ARG . 42.1 mt -148.41 118.54 4.2 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.938 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -130.93 97.26 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -139.5 176.23 8.9 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.8 OUTLIER -39.63 130.2 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.07 -3.97 14.7 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.559 1.821 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 20.3 p30 -96.83 63.13 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -176.24 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.377 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 16.6 m-85 -44.95 171.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -115.89 167.72 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.218 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -41.03 -33.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -67.28 -73.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.636 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.754 ' HG3' HD13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -44.7 -46.79 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 12' ' ' VAL . 94.9 mt -59.95 -49.35 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.3 mm-40 -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' LYS . 8.3 mttt -49.02 -61.87 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 65' ' ' ARG . 20.9 mt -47.11 -47.72 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.14 -32.32 72.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.2 mtpt -71.55 -23.05 61.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -114.45 21.51 14.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -56.77 -34.88 68.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -32.55 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.078 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -75.69 -41.9 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.542 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 72' ' ' ALA . 30.8 t -46.17 131.01 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 78' ' ' MET . 3.7 tpp85 -147.57 135.52 21.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.421 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 55.0 mtt -108.89 143.34 38.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.37 120.25 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 44' ' ' VAL . 15.7 mm -69.87 107.37 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.4 -56.96 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.99 163.83 15.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -80.36 136.24 36.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.58 164.98 31.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.76 149.06 19.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -176.48 2.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.6 p -115.56 -51.58 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 t -120.5 122.5 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.69 84.78 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -112.78 85.12 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.83 -136.51 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.1 111.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.959 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -97.77 97.71 9.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.55 -49.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.462 1.101 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 70' ' ' LEU . 25.7 mt -41.36 -52.71 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -40.08 -65.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -44.77 64.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.79 -41.03 81.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.667 HG21 HD22 ' A' ' 66' ' ' LEU . 60.4 t -68.89 -41.79 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -53.54 -55.67 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.9 mm-40 -60.71 -34.04 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -57.06 -66.4 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 13.9 m-85 -53.17 -40.26 64.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -66.22 -38.0 86.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.1 mm-40 -63.64 -45.74 88.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 76' ' ' VAL . 29.5 mmtt -58.73 -51.41 70.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.4 t80 -49.77 -48.74 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.61 17.33 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -55.32 -44.53 75.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 110.334 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -35.03 77.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.4 mt -73.01 -5.4 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.24 23.25 74.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.29 -178.8 3.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.227 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.24 22.23 11.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.37 151.15 57.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.47 17.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 76.2 t -126.78 141.15 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.5 mt -58.2 154.05 13.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 34' ' ' TYR . 70.6 t -102.2 120.18 54.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.04 62.33 5.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 32' ' ' VAL . 95.3 m-85 -50.08 -41.05 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -49.68 -44.66 48.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' ASP . 84.4 mt -72.09 -66.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.678 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.1 mt -40.36 -40.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.94 -49.45 73.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -77.65 -37.58 49.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -108.96 100.97 42.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -14.84 21.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -107.49 52.62 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.38 -54.93 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.546 HG21 ' HE1' ' A' ' 20' ' ' TYR . 43.2 t -138.3 141.61 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 78' ' ' MET . 11.3 tt0 -102.51 125.98 49.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.883 HG21 ' CE1' ' A' ' 55' ' ' PHE . 47.6 t -113.4 128.15 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.0 p -145.46 170.4 16.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.41 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.14 -23.7 25.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 54' ' ' PRO . 14.3 mt -45.76 163.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.822 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 150.93 38.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.17 143.71 57.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 70.61 32.99 2.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.822 HD12 ' HG2' ' A' ' 50' ' ' PRO . 26.9 mt -150.75 118.27 3.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.04 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.883 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.6 t80 -127.66 98.53 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.71 177.39 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.199 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.4 t-20 -39.17 131.59 1.22 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 -14.85 20.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.56 1.821 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -89.77 69.3 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 179.45 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-85 -46.36 173.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ILE . 19.0 m-20 -112.12 167.53 10.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -38.91 -70.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.623 ' N ' HG22 ' A' ' 63' ' ' ILE . 33.1 m170 -37.81 -72.83 0.05 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 53' ' ' ILE . 3.1 mmt85 -40.35 -58.59 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.667 HD22 HG21 ' A' ' 12' ' ' VAL . 14.9 mt -47.33 -42.15 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.3 mm-40 -72.86 -49.25 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 110.354 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -52.6 -52.11 56.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' PRO . 11.5 mt -58.46 -49.26 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.237 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.522 ' CD1' HD22 ' A' ' 8' ' ' LEU . 11.5 mt -61.21 -30.66 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' GLU . 11.7 mttt -71.63 -27.48 63.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -107.68 9.93 29.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -44.77 -35.63 2.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.192 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -44.71 59.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -65.69 -39.42 91.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.553 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG12 ' HG3' ' A' ' 19' ' ' LYS . 43.9 t -45.92 128.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' MET . 5.3 tpp180 -147.7 135.76 21.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 56.7 mtt -110.16 144.31 38.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.1 t -137.14 117.12 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.533 HD13 HG22 ' A' ' 44' ' ' VAL . 19.6 mm -67.33 104.3 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.3 mm -74.34 -51.78 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.55 144.05 37.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -86.53 153.51 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.2 p 179.87 96.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.41 115.21 2.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -55.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 t -157.02 145.37 19.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.2 106.2 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.92 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m 54.27 88.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 m 62.15 96.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.03 -73.17 0.33 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.431 1.082 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -112.45 168.32 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 m -162.28 92.06 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -100.9 -51.17 1.19 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.795 ' CD2' HD12 ' A' ' 70' ' ' LEU . 6.7 mt -39.96 -52.83 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CZ ' ' OD1' ' A' ' 59' ' ' ASN . 24.3 ttp180 -46.39 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.72 -49.96 35.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.488 ' HB2' HD11 ' A' ' 70' ' ' LEU . 16.5 mt-30 -45.66 -50.51 13.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG12 ' HB3' ' A' ' 58' ' ' PRO . 42.5 t -68.45 -38.57 79.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 2.1 mtpt -52.36 -57.27 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 1.5 mt-10 -59.41 -34.4 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.235 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 5.8 tp -58.27 -71.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 12.7 m-85 -48.14 -40.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.386 1.054 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m-20 -66.85 -42.07 86.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 5.2 mm-40 -59.54 -47.26 86.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HG3' HG12 ' A' ' 76' ' ' VAL . 24.1 mmtt -56.58 -53.89 52.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.566 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 3.8 t80 -46.16 -49.96 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.3 -56.41 19.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.86 -47.04 83.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.36 -37.19 77.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.2 mt -70.3 -8.25 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.62 25.66 62.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.55 -172.08 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 0.724 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.81 21.45 7.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.68 151.59 60.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.262 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.7 14.55 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.5 1.79 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 80.5 t -125.32 144.16 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 8.0 mt -60.62 154.99 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 60.0 t -101.52 119.63 56.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 61.57 5.74 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 62.8 m-85 -44.59 -46.51 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -44.94 -49.81 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.88 -65.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.709 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.0 mt -43.07 -30.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' NH1' ' HD2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -63.13 -57.88 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.41 -37.7 74.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.8 t -110.36 99.4 40.32 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -17.29 19.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.95 44.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.4 -54.7 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.598 HG22 HD13 ' A' ' 80' ' ' ILE . 25.0 t -141.06 141.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -99.92 133.0 44.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.826 HG21 ' CE1' ' A' ' 55' ' ' PHE . 29.7 t -119.85 129.7 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.4 p -146.25 174.76 11.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.66 -29.68 7.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 69' ' ' ILE . 14.6 mt -45.0 162.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.564 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.95 144.12 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.01 149.17 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' O ' ' CG1' ' A' ' 53' ' ' ILE . 1.1 t0 70.84 29.87 3.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' HG2' ' A' ' 50' ' ' PRO . 27.3 mt -154.77 117.8 2.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.826 ' CE1' HG21 ' A' ' 46' ' ' VAL . 4.2 t80 -127.01 96.4 4.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASN . 3.2 mtm180 -141.18 176.95 8.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' HG22 ' A' ' 60' ' ' THR . 3.7 t-20 -39.09 133.53 1.13 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.663 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 -8.49 20.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.055 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.46 ' OD1' ' CZ ' ' A' ' 9' ' ' ARG . 2.1 t30 -93.49 68.88 4.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.356 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 57' ' ' ASN . 0.5 OUTLIER 178.82 -35.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-85 -48.87 174.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.0 m-20 -114.94 168.34 10.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.2 mp -38.8 -70.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.622 ' N ' HG22 ' A' ' 63' ' ' ILE . 22.9 m170 -39.16 -72.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.661 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.598 ' O ' HD12 ' A' ' 69' ' ' ILE . 6.3 mtt85 -42.18 -58.58 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 66' ' ' LEU . 30.5 mt -46.65 -44.38 18.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.5 -49.8 51.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -49.42 -51.88 32.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.9 mt -54.63 -50.84 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.795 HD12 ' CD2' ' A' ' 8' ' ' LEU . 9.0 mt -58.2 -42.62 86.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -65.53 -21.87 66.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.973 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -111.65 26.71 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.1 ptt-85 -66.07 -34.98 79.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.12 -20.78 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -88.3 -40.57 13.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.973 HG23 ' O ' ' A' ' 72' ' ' ALA . 55.9 t -48.04 129.08 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.27 139.81 30.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.52 ' HG2' HG22 ' A' ' 46' ' ' VAL . 55.9 mtt -115.12 139.25 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 99.0 t -131.46 120.96 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 44' ' ' VAL . 15.0 mm -70.68 106.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm -73.36 -49.1 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -121.28 104.13 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.593 1.183 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.24 161.9 19.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.85 141.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.18 -124.99 1.59 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.65 3.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.591 1.837 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.61 163.1 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.063 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.8 m -56.01 123.53 14.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -134.49 112.75 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.994 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 62.79 144.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.46 -82.86 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.424 1.077 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 m -62.26 169.1 2.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.941 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -57.66 103.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.1 -63.41 1.88 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.428 1.08 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.72 HD22 HD12 ' A' ' 70' ' ' LEU . 38.1 mt -41.23 -44.5 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -50.76 -54.07 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -42.24 95.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.86 -44.67 82.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 110.254 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 58' ' ' PRO . 52.1 t -69.35 -44.55 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -50.16 -49.86 50.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.2 mt-10 -65.18 -35.1 80.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.595 1.184 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' CG2' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -56.44 -65.3 0.63 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 16.6 m-85 -52.48 -42.15 64.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.41 HD21 HD23 ' A' ' 31' ' ' LEU . 4.7 m-20 -65.1 -38.8 91.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.2 mm-40 -62.77 -45.61 91.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -59.1 -53.8 54.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.553 ' CG ' HG22 ' A' ' 32' ' ' VAL . 1.8 t80 -47.45 -52.23 17.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.91 -54.78 20.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.09 -47.01 84.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -32.33 72.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 mt -73.91 -6.09 45.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.73 20.19 76.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mt -98.63 -174.86 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 21.74 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -143.84 153.99 58.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.96 21.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.437 1.757 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 69.8 t -129.34 141.81 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD23 HD21 ' A' ' 17' ' ' ASN . 8.2 mt -60.06 149.72 31.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.617 1.198 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.59 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 69.4 t -100.5 121.28 53.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -75.05 68.35 5.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.962 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 54.1 m-85 -51.87 -46.81 64.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -46.35 -46.01 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.45 -68.12 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.627 HG21 ' HE2' ' A' ' 55' ' ' PHE . 5.9 mt -40.19 -35.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -54.83 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -74.34 -31.82 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 t -113.92 95.01 36.26 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -13.01 21.58 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -106.23 46.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.91 -51.57 2.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG22 HD13 ' A' ' 80' ' ' ILE . 42.8 t -141.56 140.63 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER -100.96 133.03 46.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.962 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.5 t -120.44 127.4 75.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.4 p -145.49 168.71 19.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 -21.8 41.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 54' ' ' PRO . 15.0 mt -48.79 163.72 0.32 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.827 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 147.19 33.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.416 1.745 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -61.98 144.96 54.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 70.47 33.27 2.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.827 HD12 ' HG2' ' A' ' 50' ' ' PRO . 41.8 mt -152.25 118.64 3.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -163.56 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.962 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.0 t80 -128.0 96.58 4.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.428 ' H ' ' HH ' ' A' ' 61' ' ' TYR . 54.2 mmt-85 -142.14 179.87 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.498 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.6 t-20 -39.62 131.19 1.41 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.683 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.94 -19.12 18.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -87.99 69.73 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 178.98 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.416 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.683 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 18.4 m-85 -46.22 173.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -108.38 167.05 10.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.38 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.648 HG22 ' N ' ' A' ' 64' ' ' HIS . 1.1 mp -39.41 -70.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.648 ' N ' HG22 ' A' ' 63' ' ' ILE . 89.9 m-70 -38.76 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.523 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.58 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.5 mtt85 -41.9 -58.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 18.2 mt -46.28 -48.44 18.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.14 -53.51 36.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -46.04 -55.63 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.6 mt -51.7 -44.36 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.72 HD12 HD22 ' A' ' 8' ' ' LEU . 43.3 mt -62.48 -38.41 89.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -17.6 63.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.91 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -117.64 32.54 6.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 36.1 ptt180 -70.72 -33.58 71.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.4 mm-40 -83.86 -21.57 31.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -85.27 -35.32 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 72' ' ' ALA . 35.5 t -54.51 129.99 16.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.21 130.2 20.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.167 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' A' ' 20' ' ' TYR . 49.8 mtt -106.31 143.45 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 93.6 t -136.57 119.45 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.372 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 44' ' ' VAL . 19.8 mm -70.37 108.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.2 mm -75.38 -61.12 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -114.53 132.46 56.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.21 127.56 19.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.06 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.47 166.63 32.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -128.71 147.16 17.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.431 1.082 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -175.42 2.34 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 t -150.24 87.75 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.7 m -78.97 149.81 32.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.04 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.08 103.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.098 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 65.05 119.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.5 -123.11 6.96 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 44.05 84.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 m -132.21 87.67 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -74.85 -53.6 6.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.872 HD23 HD12 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -39.58 -53.1 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 0.72 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -46.92 -61.14 2.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.43 -42.74 67.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -57.19 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG12 ' HB3' ' A' ' 58' ' ' PRO . 32.9 t -57.99 -39.57 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -53.33 -56.81 13.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -59.78 -33.18 71.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.614 1.196 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.5 tp -59.16 -70.35 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' O ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m-85 -49.29 -38.53 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -68.14 -42.05 80.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.8 mm-40 -59.31 -46.71 87.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -56.52 -55.31 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.63 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.9 t80 -46.02 -52.99 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.77 -58.2 12.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.85 -45.91 74.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.767 . . . . 0.0 110.363 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.72 78.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -71.58 -8.13 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.19 24.56 65.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.2 mt -101.08 -172.43 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -124.13 19.78 9.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.2 151.63 59.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.0 16.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.517 1.799 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.97 141.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.36 145.63 50.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 71.2 t -93.55 120.29 66.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.63 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.1 Cg_endo -74.98 61.88 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 78.4 m-85 -45.56 -40.52 8.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -50.56 -53.04 33.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' ASP . 81.6 mt -62.63 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' LEU . 5.2 mt -39.05 -44.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -50.36 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . 2.6 t0 -75.19 -31.23 60.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.1 t -119.74 98.32 49.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 110.071 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.86 -15.81 20.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.783 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -104.63 50.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.95 -53.44 1.96 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.502 HG22 HD13 ' A' ' 80' ' ' ILE . 54.2 t -138.85 143.44 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -104.48 132.62 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.957 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 57.0 t -119.44 123.01 70.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -143.21 174.11 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.18 -27.08 9.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 54' ' ' PRO . 13.2 mt -43.26 164.86 0.12 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.489 0.759 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.692 ' HG2' HD12 ' A' ' 53' ' ' ILE . 17.9 Cg_endo -75.1 144.35 29.82 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.96 145.79 44.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 70.44 31.66 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.852 HD13 ' HG3' ' A' ' 65' ' ' ARG . 47.0 mt -152.18 118.31 3.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.425 1.75 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.957 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 5.4 t80 -128.71 101.15 6.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -143.77 177.51 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.9 t30 -39.76 131.01 1.47 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.685 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -13.66 21.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.426 ' O ' ' HB ' ' A' ' 60' ' ' THR . 4.2 t-20 -91.17 72.08 6.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 59' ' ' ASN . 0.0 OUTLIER 175.41 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.685 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.3 m-85 -48.03 170.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.7 m-20 -110.97 166.5 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -40.29 -38.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -61.39 -73.08 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.537 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.852 ' HG3' HD13 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -44.49 -53.49 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.352 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' HB3' HD22 ' A' ' 8' ' ' LEU . 43.0 mt -53.25 -51.5 62.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.42 -55.12 37.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' LYS . 6.0 mmtm -52.69 -61.53 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mt -43.99 -60.51 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.872 HD12 HD23 ' A' ' 8' ' ' LEU . 5.7 mt -46.65 -33.65 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -72.27 -39.59 68.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -94.11 16.38 14.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' ILE . 38.3 ptt180 -53.84 -37.41 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.087 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.04 -40.75 62.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 110.334 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -67.21 -44.49 79.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 109.638 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 72' ' ' ALA . 72.6 t -44.29 127.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' MET . 2.0 tpp180 -145.62 135.4 23.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 16' ' ' PHE . 55.1 mtt -108.68 144.3 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 88.6 t -135.64 118.57 22.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.89 HG22 ' O ' ' A' ' 82' ' ' ASN . 46.6 mm -67.41 90.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD11 ' HB2' ' A' ' 45' ' ' GLU . 14.4 mm -47.14 -62.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.89 ' O ' HG22 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -94.01 -152.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.172 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HB2' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER 75.28 -59.81 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 t 65.9 151.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.82 115.88 1.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.66 159.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m 61.62 -89.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -143.96 163.24 34.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -103.99 162.85 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.3 -113.14 4.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 m 63.01 106.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.764 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -70.2 151.93 44.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.024 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.4 -50.47 2.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.694 HD22 HD12 ' A' ' 70' ' ' LEU . 37.6 mt -44.96 -45.52 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.572 ' HD3' HD11 ' A' ' 66' ' ' LEU . 6.1 tpp180 -50.11 -60.21 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -38.6 71.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.18 -58.83 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -53.61 -40.86 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 11.9 mtmt -53.78 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 17.1 mt-10 -55.03 -35.58 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 73' ' ' ARG . 5.9 tp -55.19 -71.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' O ' ' HE3' ' A' ' 78' ' ' MET . 10.2 m-85 -46.83 -41.88 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.54 HD21 HD23 ' A' ' 31' ' ' LEU . 3.3 m-20 -64.46 -44.76 90.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 4.3 mm-40 -55.39 -45.44 76.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -57.17 -57.61 11.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.703 ' HE1' HG21 ' A' ' 44' ' ' VAL . 1.4 t80 -44.8 -55.02 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.5 -54.31 8.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.0 -48.82 80.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.763 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.19 -33.99 71.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.4 -7.07 44.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.14 15.32 80.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mt -96.66 -179.15 4.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -120.92 24.18 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.94 149.58 53.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.05 146.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.54 HD23 HD21 ' A' ' 17' ' ' ASN . 6.2 mt -60.22 155.65 17.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 80.8 t -108.66 116.16 56.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.485 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.01 71.23 5.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.586 ' CD2' ' OD1' ' A' ' 57' ' ' ASN . 77.5 m-85 -56.09 -35.83 67.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.93 68.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.44 -46.79 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 33' ' ' PRO . 4.6 mt -62.69 -21.45 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' TYR . 13.7 tpt85 -72.36 -53.78 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.43 -26.59 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 t -116.67 92.11 36.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -11.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.24 49.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.43 -54.18 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.703 HG21 ' HE1' ' A' ' 20' ' ' TYR . 55.4 t -138.45 145.68 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -105.41 133.18 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.973 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 58.2 t -120.32 122.29 67.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 3.2 p -140.97 175.64 9.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 110.437 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.37 -29.85 6.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.0 mt -44.18 163.4 0.18 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.799 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.95 165.53 31.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.09 143.63 37.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t0 70.92 34.17 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.545 HD12 ' HG2' ' A' ' 50' ' ' PRO . 5.7 mt -152.5 117.76 2.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.973 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 8.2 t80 -134.29 92.7 2.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 111.065 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -137.93 178.44 7.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' OD1' ' CD2' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -50.48 128.75 25.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.545 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 58.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.779 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.19 8.59 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.35 -37.07 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 0.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 24.3 m-85 -42.54 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' ILE . 17.4 m-20 -112.5 164.92 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ASP . 0.2 OUTLIER -39.42 -34.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -67.9 -72.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.557 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 69' ' ' ILE . 12.9 mtt85 -47.08 -46.97 23.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.572 HD11 ' HD3' ' A' ' 9' ' ' ARG . 14.7 mt -52.6 -41.16 63.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -74.47 -54.34 7.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -45.11 -53.08 8.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 65' ' ' ARG . 7.4 mt -54.64 -40.25 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 8' ' ' LEU . 77.1 mt -69.04 -37.42 78.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -11.38 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.626 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -124.52 21.33 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' HD13 ' A' ' 15' ' ' LEU . 26.3 ptt-85 -60.11 -29.31 68.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.92 -25.04 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.58 -47.63 12.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 72' ' ' ALA . 62.5 t -43.45 132.45 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -146.87 139.03 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.501 ' HE1' HG21 ' A' ' 32' ' ' VAL . 57.8 mtt -110.21 146.37 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 98.7 t -138.92 116.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 44' ' ' VAL . 47.5 mm -66.39 103.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 20.4 mm -75.21 -57.91 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -124.5 120.26 31.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.09 116.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.315 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.52 144.74 0.22 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.08 100.74 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -67.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.5 90.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 0.724 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 117.47 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.51 154.36 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 m -74.92 85.66 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 0.714 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -92.72 100.75 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.98 -53.75 35.21 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.499 1.124 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.3 mt -42.66 -51.22 5.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 0.718 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -41.44 -52.97 3.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.324 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -44.64 89.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HB2' HD11 ' A' ' 70' ' ' LEU . 13.4 mt-30 -54.15 -42.5 69.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 79.1 t -69.93 -38.63 76.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 12.8 mttt -52.47 -60.84 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.09 -36.56 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' CD2' HG22 ' A' ' 69' ' ' ILE . 3.6 tp -55.59 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 16.9 m-85 -47.93 -40.89 23.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.479 HD21 HD23 ' A' ' 31' ' ' LEU . 3.1 m-20 -65.46 -42.94 91.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.6 -47.52 84.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -58.94 -50.41 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.586 1.179 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' CG ' HG22 ' A' ' 32' ' ' VAL . 2.5 t80 -49.45 -49.59 44.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.17 -58.44 13.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -53.6 -50.97 64.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.17 69.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD11 ' CD2' ' A' ' 20' ' ' TYR . 11.2 mt -69.18 -10.8 59.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.34 17.65 70.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.97 -169.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.67 18.47 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.95 151.97 69.27 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 130.27 13.15 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.447 1.762 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 77.7 t -122.23 141.05 44.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.557 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 7.4 mt -56.86 158.69 4.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.621 HG22 ' CG ' ' A' ' 20' ' ' TYR . 75.4 t -113.42 116.85 45.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.17 3.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -54.15 -37.75 64.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.39 -37.3 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.57 -58.33 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.586 HG21 ' HE2' ' A' ' 55' ' ' PHE . 6.1 mt -52.48 -21.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 38' ' ' ARG . 0.4 OUTLIER -72.99 -66.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.67 -22.23 66.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -120.24 93.61 48.19 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -18.51 18.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.412 1.743 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -104.13 53.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -122.23 -49.95 2.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 80' ' ' ILE . 39.8 t -143.61 143.57 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER -102.68 133.65 47.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.872 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 62.0 t -118.89 126.6 75.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' VAL . 2.8 p -140.91 172.66 12.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' LEU . . . 88.77 -24.8 11.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.3 mt -43.04 164.37 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.622 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.98 172.98 15.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.431 1.753 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -85.59 140.8 30.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 69.45 29.6 4.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' HG2' ' A' ' 50' ' ' PRO . 66.8 mt -143.23 117.79 6.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.569 1.826 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.872 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 32.0 t80 -130.24 91.53 3.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASN . 5.2 mtt180 -140.55 171.87 13.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' CG2' ' A' ' 60' ' ' THR . 0.9 OUTLIER -39.06 137.5 0.92 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.663 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.93 1.23 7.94 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.481 1.779 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 59' ' ' ASN . 24.7 p30 -97.05 57.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -170.43 -39.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.3 m-85 -44.8 167.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.79 167.54 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -36.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 67' ' ' GLU . 26.6 m80 -67.42 -72.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.624 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 69' ' ' ILE . 24.5 mtm180 -46.62 -46.62 19.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 70' ' ' LEU . 15.9 mt -53.93 -23.88 14.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.2 mm-40 -94.29 -45.4 7.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 9.8 mptt -47.82 -66.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.515 HG22 ' CD2' ' A' ' 15' ' ' LEU . 3.4 mt -44.07 -61.09 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.365 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 66' ' ' LEU . 16.1 mt -48.57 -30.63 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.7 OUTLIER -72.95 -37.24 67.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -98.64 14.98 26.59 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ILE . 41.4 ptt180 -51.11 -27.71 8.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.91 -45.07 15.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -67.99 -38.33 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.585 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 72' ' ' ALA . 24.7 t -44.72 129.39 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -146.95 136.55 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 53.2 mtt -111.0 143.75 41.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 95.7 t -135.89 119.35 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 44' ' ' VAL . 21.6 mm -70.58 108.46 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.4 mm -77.84 -57.47 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -128.06 116.38 19.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -76.97 129.0 35.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 80.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -172.19 117.49 0.67 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -52.43 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.549 1.815 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.9 p -155.66 161.2 40.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.965 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -163.23 95.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -90.8 116.09 28.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 0.82 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.1 m -82.81 82.0 8.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.75 -146.91 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 126.56 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 p -131.86 106.64 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.01 -52.61 2.54 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.409 HD22 HD12 ' A' ' 70' ' ' LEU . 21.1 mt -42.07 -46.68 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.81 -54.17 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.276 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -40.3 -39.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 58' ' ' PRO . 44.1 t -71.42 -53.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 4.8 mtpm? -44.05 -44.37 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.362 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 6.5 mt-10 -69.68 -35.03 74.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 73' ' ' ARG . 2.3 tp -58.64 -67.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 17.0 m-85 -48.87 -39.46 25.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 6.3 m-20 -68.65 -42.5 77.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' GLU . 3.9 mm-40 -59.41 -47.06 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -57.92 -53.02 62.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CZ ' ' CD ' ' A' ' 33' ' ' PRO . 2.4 t80 -47.71 -50.57 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.47 -55.98 22.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.0 -43.88 86.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.4 84.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.8 mt -70.07 -8.07 46.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.87 15.83 76.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.61 -179.73 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -119.0 20.74 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.39 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.26 151.45 64.5 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.02 17.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' ASN . 78.7 t -128.65 140.3 49.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 6.6 mt -55.35 162.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 34' ' ' TYR . 53.8 t -109.89 120.29 45.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' CD ' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.91 61.96 5.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 32' ' ' VAL . 65.0 m-85 -45.44 -48.52 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -44.97 -48.59 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.9 mt -68.25 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.439 HG21 ' HE2' ' A' ' 55' ' ' PHE . 7.2 mt -44.05 -28.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tpm_? -67.15 -66.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.28 -22.32 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -121.92 94.38 48.22 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.31 20.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -107.04 53.72 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -123.15 -52.94 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 80' ' ' ILE . 37.9 t -139.6 140.21 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER -100.12 133.4 44.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.785 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 63.7 t -119.35 127.5 75.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.3 p -145.71 170.56 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.436 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.42 -22.41 30.24 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 11.9 mt -43.92 165.01 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.686 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.93 145.04 31.26 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.031 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.9 141.4 57.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t0 70.39 33.79 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.686 HD12 ' HG2' ' A' ' 50' ' ' PRO . 39.5 mt -150.82 118.21 3.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.785 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 20.5 t80 -125.16 97.51 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASN . 2.8 mtt180 -141.5 171.9 13.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' THR . 6.2 t30 -39.02 139.34 0.76 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.683 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.92 -11.63 21.65 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -91.69 71.3 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 177.05 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.683 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 23.2 m-85 -51.55 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ILE . 56.5 m-20 -129.63 172.3 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -40.17 -68.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.669 ' N ' HG22 ' A' ' 63' ' ' ILE . 2.4 m-70 -37.88 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.564 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.525 ' HD3' HD13 ' A' ' 53' ' ' ILE . 3.2 mmt85 -41.32 -59.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 66' ' ' LEU . 49.8 mt -47.91 -37.65 14.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' HIS . 1.3 mm-40 -75.87 -49.29 18.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -55.36 -57.43 11.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 15' ' ' LEU . 19.6 mt -51.88 -44.87 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 8' ' ' LEU . 42.5 mt -65.46 -34.64 78.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' GLU . 12.5 mttt -72.22 -20.8 61.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 76' ' ' VAL . . . -112.99 21.33 15.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HB2' HD13 ' A' ' 15' ' ' LEU . 28.9 ptt180 -58.93 -37.25 76.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.09 -25.64 55.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -82.54 -42.71 18.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.558 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 72' ' ' ALA . 75.9 t -47.6 127.09 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' MET . 6.7 tpt180 -141.03 137.18 32.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 54.1 mtt -112.03 140.59 46.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 85.0 t -133.04 120.71 41.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.568 HD13 HG22 ' A' ' 44' ' ' VAL . 14.4 mm -70.48 103.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.1 mm -70.93 -59.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.424 1.078 . . . . 0.0 109.322 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.01 161.61 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -56.83 123.61 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.26 168.36 10.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 0.0 109.977 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -112.78 139.58 15.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.88 4.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.432 1.754 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -178.14 80.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.32 164.59 34.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.574 1.171 . . . . 0.0 110.984 179.94 . . . . . . . . 0 0 . 1 stop_ save_